 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer03_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/Gau-44027.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     44028.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer03_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 18:45:05 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 18:45:08 2021, MaxMem=  6442450944 cpu:              13.7 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.09D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.98D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 18:45:10 2021, MaxMem=  6442450944 cpu:               7.9 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 18:45:10 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 18:45:11 2021, MaxMem=  6442450944 cpu:               7.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.811408602094    
 DIIS: error= 3.85D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.811408602094     IErMin= 1 ErrMin= 3.85D-05
 ErrMax= 3.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-06 BMatP= 3.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.12D-04 MaxDP=3.62D-02              OVMax= 3.86D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.49D-04    CP:  9.97D-01
 E= -654.811413905323     Delta-E=       -0.000005303228 Rises=F Damp=F
 DIIS: error= 1.03D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.811413905323     IErMin= 2 ErrMin= 1.03D-05
 ErrMax= 1.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-07 BMatP= 3.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.885D-01 0.109D+01
 Coeff:     -0.885D-01 0.109D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.14D-05 MaxDP=2.12D-03 DE=-5.30D-06 OVMax= 1.39D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.15D-05    CP:  9.97D-01  1.08D+00
 E= -654.811414104561     Delta-E=       -0.000000199239 Rises=F Damp=F
 DIIS: error= 1.02D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.811414104561     IErMin= 3 ErrMin= 1.02D-05
 ErrMax= 1.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-07 BMatP= 1.57D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.735D-01 0.550D+00 0.524D+00
 Coeff:     -0.735D-01 0.550D+00 0.524D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.35D-06 MaxDP=2.21D-04 DE=-1.99D-07 OVMax= 6.89D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.02D-06    CP:  9.97D-01  1.08D+00  9.29D-01
 E= -654.811414201810     Delta-E=       -0.000000097249 Rises=F Damp=F
 DIIS: error= 3.02D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.811414201810     IErMin= 4 ErrMin= 3.02D-06
 ErrMax= 3.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-08 BMatP= 1.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.257D-01 0.113D+00 0.240D+00 0.673D+00
 Coeff:     -0.257D-01 0.113D+00 0.240D+00 0.673D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=6.85D-05 DE=-9.72D-08 OVMax= 4.04D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.00D-06    CP:  9.97D-01  1.08D+00  9.59D-01  1.10D+00
 E= -654.811414209813     Delta-E=       -0.000000008003 Rises=F Damp=F
 DIIS: error= 9.62D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.811414209813     IErMin= 5 ErrMin= 9.62D-07
 ErrMax= 9.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-09 BMatP= 1.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-02-0.318D-01 0.439D-01 0.368D+00 0.622D+00
 Coeff:     -0.190D-02-0.318D-01 0.439D-01 0.368D+00 0.622D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.85D-07 MaxDP=5.32D-05 DE=-8.00D-09 OVMax= 1.54D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.32D-07    CP:  9.97D-01  1.08D+00  9.80D-01  1.12D+00  1.07D+00
 E= -654.811414211617     Delta-E=       -0.000000001804 Rises=F Damp=F
 DIIS: error= 3.32D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.811414211617     IErMin= 6 ErrMin= 3.32D-07
 ErrMax= 3.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-10 BMatP= 2.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-02-0.241D-01-0.298D-02 0.103D+00 0.269D+00 0.653D+00
 Coeff:      0.171D-02-0.241D-01-0.298D-02 0.103D+00 0.269D+00 0.653D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=1.22D-05 DE=-1.80D-09 OVMax= 5.10D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  9.97D-01  1.08D+00  9.85D-01  1.12D+00  1.08D+00
                    CP:  1.11D+00
 E= -654.811414211894     Delta-E=       -0.000000000277 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.811414211894     IErMin= 7 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-11 BMatP= 1.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.935D-03-0.394D-02-0.919D-02-0.209D-01-0.746D-02 0.276D+00
 Coeff-Com:  0.765D+00
 Coeff:      0.935D-03-0.394D-02-0.919D-02-0.209D-01-0.746D-02 0.276D+00
 Coeff:      0.765D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.53D-08 MaxDP=4.60D-06 DE=-2.77D-10 OVMax= 1.96D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.06D-08    CP:  9.97D-01  1.08D+00  9.84D-01  1.13D+00  1.09D+00
                    CP:  1.10D+00  1.24D+00
 E= -654.811414211764     Delta-E=        0.000000000130 Rises=F Damp=F
 DIIS: error= 2.30D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -654.811414211894     IErMin= 8 ErrMin= 2.30D-08
 ErrMax= 2.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-12 BMatP= 2.33D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.598D-04 0.155D-02-0.231D-02-0.153D-01-0.327D-01 0.789D-02
 Coeff-Com:  0.188D+00 0.853D+00
 Coeff:      0.598D-04 0.155D-02-0.231D-02-0.153D-01-0.327D-01 0.789D-02
 Coeff:      0.188D+00 0.853D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.82D-08 MaxDP=2.31D-06 DE= 1.30D-10 OVMax= 7.08D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.19D-08    CP:  9.97D-01  1.08D+00  9.84D-01  1.13D+00  1.09D+00
                    CP:  1.13D+00  1.28D+00  1.05D+00
 E= -654.811414211906     Delta-E=       -0.000000000142 Rises=F Damp=F
 DIIS: error= 9.62D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -654.811414211906     IErMin= 9 ErrMin= 9.62D-09
 ErrMax= 9.62D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-13 BMatP= 1.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.511D-04 0.103D-02-0.284D-03-0.490D-02-0.142D-01-0.199D-01
 Coeff-Com:  0.140D-01 0.391D+00 0.633D+00
 Coeff:     -0.511D-04 0.103D-02-0.284D-03-0.490D-02-0.142D-01-0.199D-01
 Coeff:      0.140D-01 0.391D+00 0.633D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=9.39D-07 DE=-1.42D-10 OVMax= 2.20D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  9.97D-01  1.08D+00  9.84D-01  1.13D+00  1.09D+00
                    CP:  1.12D+00  1.28D+00  1.09D+00  9.54D-01
 E= -654.811414211771     Delta-E=        0.000000000136 Rises=F Damp=F
 DIIS: error= 3.43D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -654.811414211906     IErMin=10 ErrMin= 3.43D-09
 ErrMax= 3.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-14 BMatP= 2.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.270D-04 0.108D-03 0.225D-03 0.737D-03 0.251D-03-0.767D-02
 Coeff-Com: -0.254D-01-0.176D-02 0.206D+00 0.827D+00
 Coeff:     -0.270D-04 0.108D-03 0.225D-03 0.737D-03 0.251D-03-0.767D-02
 Coeff:     -0.254D-01-0.176D-02 0.206D+00 0.827D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.36D-09 MaxDP=2.10D-07 DE= 1.36D-10 OVMax= 1.21D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.811414212     A.U. after   10 cycles
            NFock= 10  Conv=0.44D-08     -V/T= 2.0048
 KE= 6.517134212231D+02 PE=-3.471857380825D+03 EE= 1.192336320720D+03
 Leave Link  502 at Mon Sep 27 18:57:32 2021, MaxMem=  6442450944 cpu:            5913.8 elap:             740.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10403148D+03

 Leave Link  801 at Mon Sep 27 18:57:33 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.68D-01 6.44D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 6.46D-02 8.37D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 8.26D-03 2.04D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 1.21D-03 6.52D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.55D-04 1.71D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 1.41D-05 5.47D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 9.88D-07 1.70D-04.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 4.42D-08 3.01D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.60D-09 4.23D-06.
     11 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 4.22D-11 6.46D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.26D-12 1.30D-07.
      3 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 6.43D-14 1.95D-08.
      2 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 3.45D-14 1.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   134 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.227257D+03
      2 -0.874191D+00  0.139789D+03
      3  0.542151D+00  0.210039D+00  0.157892D+03
 Isotropic polarizability for W=    0.088559      174.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.252228D+03  0.380056D+02 -0.791349D+02
      2  -0.138030D+03 -0.473321D+01  0.354270D+02
      3  -0.114198D+03 -0.332724D+02  0.437079D+02
      4  -0.397870D+02  0.586123D+02  0.991297D+01
      5  -0.494484D+02  0.609602D+01  0.959470D+02
      6   0.722517D+01  0.125790D+02 -0.506072D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.711088D+01 -0.307138D+01  0.230729D+02
      2  -0.457534D+02  0.431877D+01  0.447473D+02
      3  -0.104581D+03 -0.323612D+02 -0.152009D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.381695D+01 -0.228480D+02  0.173348D+02
      2  -0.296864D+02  0.268779D+01  0.210145D+03
      3  -0.777926D+02 -0.196642D+03  0.112915D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.445101D+00  0.563939D+01  0.128197D+02
      2   0.563939D+01 -0.364354D+01 -0.140877D+01
      3   0.128197D+02 -0.140877D+01 -0.111377D+01
 OR G Eigenvalues:   -15.2951    -2.1482    13.1311  Iso=     1.4374
 Eigenvectors:
   (1)   0.660930  -0.396899  -0.636900
   (2)   0.132591   0.897103  -0.421457
   (3)   0.738641   0.194106   0.645548
 w=    0.088559 a.u., Optical Rotation Beta=      1.4374 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      353.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.99D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 4.38D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.96D-02 3.58D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.78D-03 7.81D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 8.28D-05 1.53D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.52D-06 2.20D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 3.84D-08 2.51D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 7.39D-10 2.51D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 1.17D-11 2.74D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.63D-13 2.90D-08.
     14 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 1.09D-14 8.51D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 6.84D-15 4.59D-09.
      2 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 2.29D-15 3.40D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   289 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.98D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.98D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.25D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.227257D+03 -0.874191D+00  0.542151D+00
      2  -0.874191D+00  0.139789D+03  0.210039D+00
      3   0.542151D+00  0.210039D+00  0.157892D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.711088D+01 -0.307138D+01  0.230729D+02
      2  -0.457534D+02  0.431877D+01  0.447473D+02
      3  -0.104581D+03 -0.323612D+02 -0.152009D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.252228D+03  0.380056D+02 -0.791349D+02
      2  -0.138030D+03 -0.473321D+01  0.354270D+02
      3  -0.114198D+03 -0.332724D+02  0.437079D+02
      4  -0.397870D+02  0.586123D+02  0.991297D+01
      5  -0.494484D+02  0.609602D+01  0.959470D+02
      6   0.722517D+01  0.125790D+02 -0.506072D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110189D+02  0.757294D+00  0.936774D-01  0.164221D+01  0.220875D+01
      2   0.757294D+00  0.147501D+01 -0.864195D-01  0.220875D+01 -0.164718D+01
      3   0.936774D-01 -0.864195D-01  0.319494D+01  0.825515D+00  0.339161D+01
                 6             7             8             9            10 
      1   0.825515D+00  0.139382D+02  0.701505D+00 -0.154477D+01  0.324534D+02
      2   0.339161D+01  0.701505D+00  0.138792D+01  0.429386D+00  0.110749D+01
      3  -0.287464D+00 -0.154477D+01  0.429386D+00  0.182897D+00 -0.156029D+01
                11            12            13            14            15 
      1   0.110749D+01 -0.156029D+01 -0.166327D+01  0.495139D+01  0.468579D+00
      2   0.151743D+01 -0.250621D+00  0.495139D+01 -0.947309D+00 -0.171556D+00
      3  -0.250621D+00  0.336169D+01  0.468579D+00 -0.171556D+00 -0.827321D+00
                16            17            18            19            20 
      1  -0.369803D+01  0.407162D+00  0.962546D+00  0.131559D+02 -0.662105D+00
      2   0.407162D+00 -0.403205D+00 -0.782743D+00 -0.662105D+00 -0.162157D+01
      3   0.962546D+00 -0.782743D+00  0.771392D+00 -0.273943D+00  0.108079D+01
                21            22            23            24            25 
      1  -0.273943D+00 -0.534728D+00 -0.208713D+01  0.535434D+00  0.122949D+02
      2   0.108079D+01 -0.208713D+01 -0.487802D+00  0.350152D+01 -0.104594D+01
      3  -0.257217D+01  0.535434D+00  0.350152D+01  0.448740D+00  0.138355D+01
                26            27            28            29            30 
      1  -0.104594D+01  0.138355D+01 -0.297409D+02 -0.114152D+00  0.556578D+00
      2   0.209688D+01  0.187604D+00 -0.114152D+00 -0.136406D+01 -0.370569D-01
      3   0.187604D+00  0.564482D+00  0.556578D+00 -0.370569D-01 -0.275101D+01
                31            32            33            34            35 
      1   0.297997D+01 -0.539103D+01 -0.179610D-01  0.145770D+01 -0.161534D+00
      2  -0.539103D+01  0.673383D+00 -0.876371D-01 -0.161534D+00 -0.729746D+00
      3  -0.179610D-01 -0.876371D-01  0.261981D+00 -0.651687D+00 -0.356833D+00
                36            37            38            39            40 
      1  -0.651687D+00  0.871040D+01 -0.314223D+00 -0.481910D+00  0.432776D+00
      2  -0.356833D+00 -0.314223D+00 -0.152326D+01 -0.787677D+00 -0.160696D+01
      3   0.111797D+01 -0.481910D+00 -0.787677D+00 -0.254711D+01 -0.477552D+00
                41            42            43            44            45 
      1  -0.160696D+01 -0.477552D+00 -0.136898D+02  0.602493D+00  0.457304D+00
      2   0.618402D+00 -0.296763D+01  0.602493D+00 -0.141802D+01 -0.119077D+00
      3  -0.296763D+01 -0.271301D-01  0.457304D+00 -0.119077D+00 -0.108289D+01
                46            47            48            49            50 
      1  -0.104044D+02  0.143795D+00  0.502251D+00  0.198832D+01  0.137496D+01
      2   0.143795D+00  0.128793D+01  0.668693D-01  0.137496D+01 -0.350614D+00
      3   0.502251D+00  0.668693D-01  0.135779D+01 -0.719605D+00 -0.339504D+01
                51            52            53            54            55 
      1  -0.719605D+00 -0.111919D+02 -0.364569D+00 -0.574843D+00 -0.162994D+02
      2  -0.339504D+01 -0.364569D+00 -0.162425D+01  0.446535D-01 -0.187774D+01
      3  -0.727064D+00 -0.574843D+00  0.446535D-01 -0.758500D+00  0.522691D+00
                56            57            58            59            60 
      1  -0.187774D+01  0.522691D+00 -0.747767D+01 -0.670632D+01  0.385009D+00
      2  -0.281173D+01  0.333923D+00 -0.670632D+01  0.621914D+00  0.141599D+01
      3   0.333923D+00 -0.210584D+01  0.385009D+00  0.141599D+01  0.317947D+01
                61            62            63            64            65 
      1   0.482166D+01  0.517987D+00 -0.400603D+01  0.948082D+00  0.227316D+01
      2   0.517987D+00  0.191163D+01  0.411797D+01  0.227316D+01  0.346015D+01
      3  -0.400603D+01  0.411797D+01 -0.113729D+01  0.266628D+01 -0.896929D+00
                66            67            68            69            70 
      1   0.266628D+01  0.121056D+02  0.650646D+01 -0.191029D+01  0.722931D+00
      2  -0.896929D+00  0.650646D+01  0.792194D+00 -0.165792D+01 -0.108265D+01
      3   0.253615D+01 -0.191029D+01 -0.165792D+01 -0.344228D+01  0.391182D+01
                71            72            73            74            75 
      1  -0.108265D+01  0.391182D+01  0.363412D+01 -0.138510D+01 -0.228041D+01
      2  -0.201829D+01 -0.376204D+01 -0.138510D+01 -0.346665D+01  0.115815D+01
      3  -0.376204D+01  0.350323D+01 -0.228041D+01  0.115815D+01 -0.242756D+01
                76            77            78            79            80 
      1  -0.366057D+01 -0.564389D+01  0.153761D+01 -0.221503D+01  0.127763D+01
      2  -0.564389D+01 -0.208008D+01  0.310359D+01  0.127763D+01  0.277969D+01
      3   0.153761D+01  0.310359D+01  0.358977D+01 -0.391418D+01  0.379923D+01
                81            82            83            84            85 
      1  -0.391418D+01  0.555752D+01 -0.247660D+01 -0.190111D+01 -0.410194D+01
      2   0.379923D+01 -0.247660D+01 -0.317426D+01  0.898073D+00 -0.417408D+01
      3  -0.112284D+00 -0.190111D+01  0.898073D+00 -0.207282D+01  0.144911D+01
                86            87            88            89            90 
      1  -0.417408D+01  0.144911D+01 -0.173682D+01  0.113785D+01 -0.272905D+01
      2  -0.410227D+01  0.185523D+01  0.113785D+01  0.296300D+01  0.247786D+01
      3   0.185523D+01  0.278164D+01 -0.272905D+01  0.247786D+01 -0.350037D+01
                91            92            93            94            95 
      1   0.575853D+01  0.211454D+01 -0.341618D+00 -0.104155D+00  0.626439D+01
      2   0.211454D+01  0.213720D+01  0.762840D+00  0.626439D+01 -0.256778D+01
      3  -0.341618D+00  0.762840D+00  0.948539D+00  0.445308D+00  0.131014D+01
                96            97            98            99           100 
      1   0.445308D+00  0.353524D+01  0.505356D+00  0.140034D+01  0.254558D+01
      2   0.131014D+01  0.505356D+00  0.301587D+01 -0.365878D+00 -0.130221D+01
      3  -0.265816D+00  0.140034D+01 -0.365878D+00 -0.490717D+01  0.195198D+01
               101           102           103           104           105 
      1  -0.130221D+01  0.195198D+01 -0.441311D+00 -0.189861D+01 -0.175549D+00
      2   0.256673D-01 -0.691299D+00 -0.189861D+01  0.345417D+01 -0.234071D+01
      3  -0.691299D+00  0.896394D+00 -0.175549D+00 -0.234071D+01 -0.337128D+00
               106           107           108           109           110 
      1   0.291445D+01 -0.193290D+01  0.239930D+01 -0.489235D+01  0.950863D+00
      2  -0.193290D+01  0.591969D+00 -0.174963D+01  0.950863D+00 -0.113230D+01
      3   0.239930D+01 -0.174963D+01  0.452473D+01 -0.394545D+01  0.466015D+00
               111           112           113           114           115 
      1  -0.394545D+01  0.605723D+00 -0.114945D+01  0.642388D+00 -0.844566D+01
      2   0.466015D+00 -0.114945D+01  0.203292D+00 -0.147943D+01  0.256862D+01
      3  -0.214612D+01  0.642388D+00 -0.147943D+01  0.920238D+00 -0.443711D+01
               116           117           118           119           120 
      1   0.256862D+01 -0.443711D+01  0.689960D+00  0.521687D+00  0.132133D+01
      2  -0.426719D+01  0.165768D+01  0.521687D+00  0.220783D+01 -0.216902D+00
      3   0.165768D+01 -0.931101D+01  0.132133D+01 -0.216902D+00  0.120751D+00
               121           122           123           124           125 
      1   0.876789D+00  0.185110D+01 -0.779612D+00  0.349059D+01 -0.209947D+01
      2   0.185110D+01 -0.410948D+01  0.325648D+01 -0.209947D+01  0.566433D+01
      3  -0.779612D+00  0.325648D+01  0.243701D+00 -0.671704D+00  0.214336D+01
               126           127           128           129           130 
      1  -0.671704D+00  0.342373D+01 -0.387155D+00  0.266878D+01 -0.119214D+01
      2   0.214336D+01 -0.387155D+00  0.510243D+00 -0.557023D+00  0.153656D+00
      3   0.324183D+01  0.266878D+01 -0.557023D+00  0.288211D+01 -0.564958D+00
               131           132           133           134           135 
      1   0.153656D+00 -0.564958D+00  0.305793D+01 -0.476274D+00  0.336129D+01
      2  -0.229428D+00  0.207544D+00 -0.476274D+00  0.101995D+01 -0.103913D+01
      3   0.207544D+00 -0.695127D+00  0.336129D+01 -0.103913D+01  0.664514D+01
               136           137           138           139           140 
      1  -0.231485D+01 -0.879526D-01  0.227292D+01  0.173577D+00  0.856802D-01
      2  -0.879526D-01 -0.209055D+00  0.871409D-01  0.856802D-01 -0.565133D-01
      3   0.227292D+01  0.871409D-01 -0.260934D+01 -0.801947D-01  0.128852D+00
               141           142           143           144           145 
      1  -0.801947D-01  0.238755D+01  0.269862D+00 -0.308126D+01 -0.363519D+01
      2   0.128852D+00  0.269862D+00  0.937888D+00 -0.571953D+00  0.479594D+00
      3  -0.263486D+00 -0.308126D+01 -0.571953D+00  0.851294D+01 -0.201378D+01
               146           147           148           149           150 
      1   0.479594D+00 -0.201378D+01  0.793672D+00 -0.136570D+00  0.445823D+00
      2  -0.545773D+00  0.210457D+00 -0.136570D+00  0.152221D+00 -0.167448D+00
      3   0.210457D+00 -0.201991D+01  0.445823D+00 -0.167448D+00  0.511915D+00
               151           152           153           154           155 
      1  -0.286889D+01  0.238809D+00 -0.288230D+01  0.231934D+01  0.630579D-01
      2   0.238809D+00 -0.902333D+00  0.392054D+00  0.630579D-01  0.232782D+00
      3  -0.288230D+01  0.392054D+00 -0.557643D+01 -0.211284D+01  0.190221D+00
               156           157           158           159           160 
      1  -0.211284D+01 -0.221299D+00 -0.415312D-01  0.143772D+00 -0.265166D+01
      2   0.190221D+00 -0.415312D-01 -0.645851D-01 -0.137653D+00 -0.924968D-01
      3   0.230537D+01  0.143772D+00 -0.137653D+00  0.118152D+00  0.303357D+01
               161           162           163           164           165 
      1  -0.924968D-01  0.303357D+01  0.260849D+01 -0.107154D+01 -0.131836D+01
      2  -0.885876D+00 -0.194585D+00 -0.107154D+01  0.141167D+01  0.525026D+00
      3  -0.194585D+00 -0.786728D+01 -0.131836D+01  0.525026D+00  0.735750D+00
               166           167           168           169           170 
      1  -0.163195D+01  0.243312D+01  0.973054D+00 -0.640779D+01  0.986668D+00
      2   0.243312D+01 -0.421139D+01 -0.228877D+01  0.986668D+00 -0.331295D+01
      3   0.973054D+00 -0.228877D+01 -0.193984D+01  0.245167D+01 -0.262396D+01
               171           172           173           174           175 
      1   0.245167D+01  0.254775D+01 -0.880478D+00  0.161828D+01 -0.217100D+00
      2  -0.262396D+01 -0.880478D+00  0.154959D+01 -0.714512D+00  0.157398D+01
      3  -0.299149D+01  0.161828D+01 -0.714512D+00  0.133831D+01 -0.547517D+00
               176           177           178           179           180 
      1   0.157398D+01 -0.547517D+00  0.486436D+01 -0.835922D+00  0.194942D+01
      2  -0.191638D+01  0.105574D+01 -0.835922D+00  0.219462D+01 -0.211975D+01
      3   0.105574D+01 -0.118605D+01  0.194942D+01 -0.211975D+01  0.354166D+01
               181           182           183           184           185 
      1  -0.198749D+01 -0.211580D+00 -0.155976D+01 -0.459546D+00 -0.894496D+00
      2  -0.211580D+00 -0.124287D+01  0.455354D+00 -0.894496D+00  0.142041D+01
      3  -0.155976D+01  0.455354D+00 -0.144881D+01  0.318686D+00 -0.105054D+01
               186           187           188           189           190 
      1   0.318686D+00 -0.305225D+01  0.144431D+00 -0.989874D+00  0.926510D+00
      2  -0.105054D+01  0.144431D+00 -0.150002D+01  0.179061D+01 -0.862550D+00
      3   0.204551D+01 -0.989874D+00  0.179061D+01 -0.529235D+01 -0.911353D+00
               191           192           193           194           195 
      1  -0.862550D+00 -0.911353D+00 -0.257117D+01  0.190076D+01  0.137507D+01
      2   0.777159D+00  0.401594D+00  0.190076D+01 -0.288379D+01 -0.245569D+01
      3   0.401594D+00  0.105823D+01  0.137507D+01 -0.245569D+01 -0.301766D+01
               196           197           198           199           200 
      1  -0.282020D+01  0.976648D+00  0.269218D+01  0.362567D+01 -0.771756D+00
      2   0.976648D+00 -0.268528D+01 -0.258430D+01 -0.771756D+00  0.115084D+01
      3   0.269218D+01 -0.258430D+01 -0.473504D+01  0.171740D+01 -0.589226D+00
               201           202           203           204           205 
      1   0.171740D+01 -0.187898D+01  0.169605D+01 -0.796666D+00  0.512814D+01
      2  -0.589226D+00  0.169605D+01 -0.111603D+01  0.595381D+00 -0.106736D+01
      3   0.171952D+01 -0.796666D+00  0.595381D+00 -0.147283D+01  0.266636D+01
               206           207           208           209           210 
      1  -0.106736D+01  0.266636D+01  0.423994D+01  0.258732D+01 -0.930181D+00
      2   0.139366D+01 -0.135020D+01  0.258732D+01  0.238302D+01 -0.767635D+00
      3  -0.135020D+01  0.363651D+01 -0.930181D+00 -0.767635D+00  0.972994D+00
               211           212           213           214           215 
      1   0.642994D+01  0.435890D+01 -0.171167D+01 -0.135370D+01 -0.100690D+01
      2   0.435890D+01  0.536703D+01 -0.158441D+01 -0.100690D+01 -0.138042D+01
      3  -0.171167D+01 -0.158441D+01  0.134730D+01  0.171451D+01  0.693058D+00
               216           217           218           219           220 
      1   0.171451D+01  0.136182D+01  0.206558D+00  0.171762D+01 -0.758628D+00
      2   0.693058D+00  0.206558D+00  0.107881D+01 -0.755405D-02  0.571395D+00
      3  -0.112405D+01  0.171762D+01 -0.755405D-02  0.234178D+01 -0.669816D+00
               221           222           223           224           225 
      1   0.571395D+00 -0.669816D+00  0.250907D+01  0.789277D-01  0.220995D+01
      2  -0.290919D+00  0.540034D+00  0.789277D-01  0.129959D+01 -0.889020D-01
      3   0.540034D+00 -0.186690D+01  0.220995D+01 -0.889020D-01  0.625079D+01
               226           227           228           229           230 
      1  -0.843235D+01  0.477379D+00  0.107832D+01  0.171256D+00 -0.114431D+01
      2   0.477379D+00 -0.221729D+01 -0.846775D+00 -0.114431D+01  0.121716D+01
      3   0.107832D+01 -0.846775D+00 -0.111428D+01 -0.526696D+00  0.668663D-01
               231           232           233           234           235 
      1  -0.526696D+00  0.111753D+01 -0.358601D+00 -0.400796D+00  0.224277D+01
      2   0.668663D-01 -0.358601D+00 -0.252817D-01  0.233829D+00  0.265322D+01
      3   0.156928D+00 -0.400796D+00  0.233829D+00  0.102095D+01  0.138232D+00
               236           237           238           239           240 
      1   0.265322D+01  0.138232D+00  0.303792D+01  0.387493D+01 -0.836941D-01
      2   0.330008D+01  0.711156D-01  0.387493D+01  0.861375D+01 -0.914297D-01
      3   0.711156D-01  0.823787D+00 -0.836941D-01 -0.914297D-01  0.877438D+00
               241           242           243           244           245 
      1  -0.974421D+00 -0.792753D+00  0.796865D+00  0.259049D+00 -0.459628D+00
      2  -0.792753D+00 -0.179346D+01  0.666943D+00 -0.459628D+00 -0.557621D+00
      3   0.796865D+00  0.666943D+00 -0.165504D+00  0.159242D+01 -0.109768D+00
               246           247           248           249           250 
      1   0.159242D+01 -0.417346D+00 -0.101189D+01 -0.869215D-01  0.322338D+01
      2  -0.109768D+00 -0.101189D+01  0.279635D+00  0.743844D+00 -0.207661D-01
      3  -0.121985D+01 -0.869215D-01  0.743844D+00  0.385313D-02 -0.201655D+01
               251           252           253           254           255 
      1  -0.207661D-01 -0.201655D+01  0.845936D+01 -0.479881D+00 -0.125794D+01
      2   0.132196D+01 -0.256757D-01 -0.479881D+00 -0.353398D+01  0.157957D-02
      3  -0.256757D-01  0.639525D+01 -0.125794D+01  0.157957D-02 -0.101178D+01
               256           257           258           259           260 
      1  -0.595876D+01 -0.412184D+01 -0.546506D+00 -0.436473D+01 -0.611905D+00
      2  -0.412184D+01  0.196959D+01 -0.243521D+01 -0.611905D+00 -0.334771D+01
      3  -0.546506D+00 -0.243521D+01  0.506434D+00 -0.125986D+01  0.126716D+01
               261           262           263           264           265 
      1  -0.125986D+01 -0.116392D+01  0.168269D+01  0.103399D+00  0.173975D+01
      2   0.126716D+01  0.168269D+01 -0.229134D+01  0.525596D-02 -0.297656D+01
      3   0.396807D+01  0.103399D+00  0.525596D-02 -0.327684D+00  0.137741D+00
               266           267           268           269           270 
      1  -0.297656D+01  0.137741D+00 -0.794465D+00  0.141583D+01 -0.440912D+00
      2   0.980566D+01 -0.226275D+00  0.141583D+01 -0.400838D+01  0.112072D+01
      3  -0.226275D+00  0.141707D+01 -0.440912D+00  0.112072D+01 -0.338909D+00
               271           272           273           274           275 
      1  -0.284557D+00  0.114666D+00 -0.527567D+00  0.560408D+00  0.221476D+00
      2   0.114666D+00  0.653252D+00  0.184053D+00  0.221476D+00 -0.525350D+00
      3  -0.527567D+00  0.184053D+00  0.367934D+00 -0.472510D-01 -0.536471D+00
               276           277           278           279           280 
      1  -0.472510D-01 -0.240682D+01 -0.648757D+00 -0.553192D+00 -0.153457D+02
      2  -0.536471D+00 -0.648757D+00 -0.198896D+01 -0.146541D+01 -0.218129D+01
      3  -0.750814D+00 -0.553192D+00 -0.146541D+01 -0.577921D+01  0.417324D+00
               281           282           283           284           285 
      1  -0.218129D+01  0.417324D+00  0.101669D+01 -0.890480D+00  0.549417D-01
      2  -0.170230D+01 -0.532258D-01 -0.890480D+00 -0.261989D+00  0.269624D+00
      3  -0.532258D-01 -0.105893D+01  0.549417D-01  0.269624D+00  0.805472D-01
               286           287           288           289           290 
      1   0.174476D+01  0.376276D+00 -0.120991D+01  0.520386D-01 -0.607364D+00
      2   0.376276D+00  0.624763D+00 -0.318656D+00 -0.607364D+00  0.223541D+01
      3  -0.120991D+01 -0.318656D+00 -0.216535D-01  0.477027D+00 -0.285835D+00
               291           292           293           294           295 
      1   0.477027D+00 -0.126405D+01 -0.151858D+00  0.442311D-02  0.146373D+01
      2  -0.285835D+00 -0.151858D+00 -0.733993D+01  0.163138D+01  0.392732D+00
      3   0.471190D+00  0.442311D-02  0.163138D+01 -0.138378D+01 -0.266404D-01
               296           297 
      1   0.392732D+00 -0.266404D-01
      2   0.308764D+01 -0.150341D+01
      3  -0.150341D+01  0.823602D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.287174D+01  0.247899D+01  0.207201D+01  0.972621D+01  0.178358D+01
      2   0.569003D+01 -0.147728D+01  0.338026D+01 -0.226143D+01 -0.113799D+01
      3   0.140456D+02 -0.215422D+01 -0.819943D+00  0.108493D+02 -0.163308D+00
                 6             7             8             9            10 
      1  -0.210528D+01 -0.106466D+01  0.281312D+01  0.193342D+00 -0.441178D+01
      2  -0.177117D+00 -0.886888D+01  0.260681D+00 -0.538182D+00 -0.158596D+02
      3  -0.492556D+01 -0.135070D+02 -0.217814D+01  0.107776D+01 -0.308822D+02
                11            12            13            14            15 
      1  -0.700524D+00  0.153833D+01  0.173625D+01  0.456819D+00 -0.102612D+02
      2   0.120125D+00 -0.329481D+01  0.226528D+01 -0.193692D+01 -0.319426D+00
      3   0.501693D+00  0.521468D+00  0.112905D+02 -0.196985D+01  0.797846D-01
                16            17            18            19            20 
      1  -0.336513D+01 -0.338267D+01 -0.681434D+00 -0.321994D+01 -0.129479D+01
      2  -0.250509D+02 -0.288625D+01 -0.284043D+01 -0.738432D+01  0.151028D+00
      3   0.302588D+01  0.366161D+00 -0.114790D+00 -0.127510D+02  0.300219D+00
                21            22            23            24            25 
      1  -0.112612D+01 -0.590579D+01  0.234603D+01  0.561129D+00 -0.205234D+00
      2   0.747597D+01 -0.181356D+01  0.975009D+00 -0.123509D+01 -0.107461D+02
      3   0.147626D-02  0.110678D+02  0.889964D+00  0.325432D+01 -0.123393D+02
                26            27            28            29            30 
      1   0.339853D+01  0.973759D+00  0.186933D+01 -0.237418D+00 -0.282601D+01
      2   0.759538D+00  0.191397D+01  0.121680D+02  0.902324D+00 -0.464662D+01
      3   0.427192D+01 -0.184943D+01  0.274605D+02  0.301252D+00 -0.910540D+00
                31            32            33            34            35 
      1  -0.349032D+01  0.139802D+01 -0.102437D+02 -0.460712D+01 -0.216214D+01
      2  -0.532842D+00  0.290558D+01  0.120656D+01 -0.277166D+02  0.168396D+01
      3   0.738138D+01  0.455367D+01 -0.507337D+00 -0.376442D+00 -0.428159D+01
                36            37            38            39            40 
      1  -0.142649D+00 -0.108218D+01  0.107780D+01 -0.126354D+01  0.721525D+01
      2  -0.322939D+00 -0.100517D+02 -0.138899D+01  0.542960D+01 -0.753831D+00
      3   0.343987D+01 -0.938550D+01 -0.841604D+00  0.145266D+01  0.135264D+02
                41            42            43            44            45 
      1  -0.228561D+01 -0.296937D+01  0.313813D+01  0.160328D+01 -0.119302D+01
      2  -0.151745D+01  0.278461D+00  0.521058D+01 -0.229678D-01 -0.371199D+01
      3   0.161470D+00 -0.368287D+01  0.139256D+02 -0.186573D+01 -0.178615D+01
                46            47            48            49            50 
      1   0.287582D+01 -0.155420D+01  0.160495D+01 -0.712574D+01 -0.195316D+01
      2   0.117468D+02  0.327524D+00  0.988712D+01 -0.959891D+00  0.719657D+00
      3   0.144243D+02 -0.103280D+01  0.921407D+00  0.126134D+02 -0.775461D+00
                51            52            53            54            55 
      1  -0.233703D+01  0.128860D+01  0.266279D+01 -0.237293D+00  0.368688D+01
      2  -0.189719D+01  0.344561D+01 -0.743222D-01  0.539643D+01  0.269852D+01
      3   0.366309D+01  0.120216D+02  0.954821D+00  0.106732D+01  0.161141D+02
                56            57            58            59            60 
      1   0.172060D+01 -0.108118D+01  0.510593D+01  0.427131D+01  0.228540D+01
      2   0.218636D-01 -0.384824D+01  0.840361D+00  0.549633D+01  0.143218D+02
      3   0.659021D+01 -0.769843D+00  0.352331D+02  0.555292D+01 -0.453650D+01
                61            62            63            64            65 
      1  -0.150212D+01  0.677673D+01 -0.181577D+01 -0.475648D+01 -0.955058D+00
      2  -0.233789D+02  0.151191D+02 -0.664866D+01  0.859333D+01 -0.293736D+01
      3  -0.756018D+01 -0.570891D+01 -0.997386D+01 -0.164622D+02 -0.180048D+02
                66            67            68            69            70 
      1  -0.149414D+01 -0.255202D+01 -0.813459D+00 -0.105883D+00  0.152012D+01
      2   0.148339D+02 -0.777011D+01 -0.554270D+01 -0.175262D+02  0.130803D+02
      3   0.509235D+01 -0.289268D+02 -0.427356D+01  0.498105D+01  0.940100D+01
                71            72            73            74            75 
      1   0.664737D+01 -0.919392D+00  0.153922D+01  0.207210D+01 -0.450116D+00
      2  -0.164440D+02  0.177681D+02 -0.875793D+01  0.533696D+01 -0.144488D+02
      3   0.736086D+01  0.160037D+02  0.808260D+01  0.179145D+02 -0.678761D+01
                76            77            78            79            80 
      1   0.372683D+01  0.854797D+00 -0.501134D+01 -0.739514D-01 -0.161381D+01
      2   0.659137D+01  0.138061D+02  0.230629D+02 -0.286790D+02  0.224928D+02
      3   0.364204D+02  0.105739D+02 -0.178251D+02 -0.701877D+01 -0.156354D+02
                81            82            83            84            85 
      1  -0.240174D+01  0.312619D+01 -0.475782D+01  0.486918D+01 -0.652311D+01
      2  -0.183777D+01 -0.146069D+02  0.682953D+01 -0.250310D+01  0.897655D+01
      3  -0.217252D+02  0.223645D+02  0.459843D+01 -0.793836D+01  0.132546D+02
                86            87            88            89            90 
      1  -0.101177D+02 -0.647513D+01  0.636217D+01 -0.718036D+00  0.945244D+01
      2   0.964316D+01  0.892886D+01 -0.872757D+01  0.778555D+01 -0.116742D+02
      3   0.873721D+01 -0.495717D+01 -0.886878D+01 -0.842900D+01 -0.122553D+02
                91            92            93            94            95 
      1   0.256302D+00  0.928995D+00  0.204467D+01  0.146146D+01 -0.131712D+01
      2  -0.517179D+01 -0.307385D+01  0.113276D+01  0.173098D+01 -0.867241D+01
      3  -0.298748D+01  0.163112D+01  0.269728D+01  0.335073D+02 -0.123836D+02
                96            97            98            99           100 
      1  -0.339447D+01  0.218048D+01  0.512248D+01 -0.165924D+01 -0.677124D+00
      2   0.313823D+00 -0.161071D+02  0.242283D+01  0.174936D+02  0.595215D+01
      3   0.512742D+01 -0.273191D+01  0.929465D+01 -0.269669D+01  0.113149D+02
               101           102           103           104           105 
      1  -0.704342D+01 -0.380049D+01 -0.141525D+01  0.361556D-01  0.171260D+01
      2   0.219352D+00  0.381116D+01 -0.323735D+01  0.101763D+02  0.655227D+01
      3  -0.149946D+02 -0.219376D+01 -0.109868D+02  0.502251D+01 -0.527393D+01
               106           107           108           109           110 
      1  -0.616093D+01 -0.364007D+01 -0.443695D+01  0.432245D+01  0.404159D+01
      2  -0.581219D+01  0.638436D+01 -0.242969D+02  0.884208D+01 -0.116715D+01
      3  -0.767984D+01  0.112559D+02 -0.457278D+01 -0.337769D+01 -0.422247D+01
               111           112           113           114           115 
      1   0.300806D+01  0.685820D+00  0.241427D+00 -0.396335D+01  0.329518D+01
      2   0.892640D+01  0.640004D+00  0.486965D+01 -0.538734D+01  0.696773D+01
      3  -0.848897D+00 -0.516897D+00  0.257509D+01 -0.538075D+01  0.112644D+02
               116           117           118           119           120 
      1   0.102069D+02  0.111049D+02 -0.360801D+01  0.213789D+01 -0.609546D+00
      2  -0.436248D+01  0.367436D+02 -0.608409D+01  0.159399D+01  0.137200D+01
      3  -0.198518D+02  0.462537D+01  0.811639D+00  0.795963D+01  0.174925D+01
               121           122           123           124           125 
      1   0.165588D+00 -0.322039D+01 -0.356301D+01 -0.192773D+01  0.643490D+01
      2  -0.315271D+00 -0.115106D+02 -0.164256D+01 -0.158067D+01 -0.635447D+01
      3   0.850647D+01 -0.959464D+01  0.101675D+02 -0.370213D+01  0.169130D+02
               126           127           128           129           130 
      1  -0.835868D+01  0.219152D+01  0.221134D+01  0.205855D+01 -0.101702D+01
      2  -0.109205D+02 -0.620102D+01 -0.220222D+00 -0.586819D+00  0.159041D+01
      3   0.722520D+01 -0.327785D+01 -0.155662D+01 -0.178891D+01  0.283964D+01
               131           132           133           134           135 
      1  -0.950323D-01 -0.221771D+01  0.273522D+01  0.315094D+01  0.482543D+01
      2  -0.797051D-01 -0.197476D+00 -0.449362D+01 -0.150482D+00  0.143065D+01
      3   0.313643D+00  0.302439D+00 -0.289758D+01 -0.208743D+01 -0.200595D+01
               136           137           138           139           140 
      1   0.177175D+01 -0.176407D+01 -0.199925D+01  0.522458D+00  0.168706D+00
      2   0.509902D+01 -0.131083D-02 -0.105363D+01 -0.490498D+00 -0.157149D+00
      3   0.160456D+01 -0.698194D+00 -0.159103D+01  0.129635D+01 -0.359264D-01
               141           142           143           144           145 
      1  -0.209205D+01 -0.192930D+01  0.410124D+01  0.528245D+01 -0.238884D+01
      2   0.443992D+00 -0.516843D+01 -0.226125D+00 -0.106441D+01 -0.799183D+01
      3  -0.458216D-01 -0.153900D+01  0.178420D+01  0.192666D+01  0.264087D+01
               146           147           148           149           150 
      1   0.284423D+01 -0.145863D+01  0.426013D+00 -0.498402D+00 -0.123440D+01
      2   0.107928D+01 -0.969758D+00  0.830616D+00 -0.169884D+00  0.317877D+00
      3  -0.154534D+01  0.145120D+01  0.612618D+00  0.444869D+00 -0.208844D+00
               151           152           153           154           155 
      1  -0.202996D+01  0.373288D+01 -0.342108D+01 -0.212987D+01 -0.168330D+01
      2  -0.469405D+01  0.269464D+00  0.128262D+01  0.497416D+01  0.509588D+00
      3   0.176553D+01 -0.251263D+01  0.199929D+01 -0.143630D+01 -0.778110D+00
               156           157           158           159           160 
      1   0.137361D+01  0.281076D+00 -0.112725D+00 -0.195218D+01  0.272812D+01
      2  -0.631904D+00 -0.156023D+00 -0.243234D+00 -0.116837D+00 -0.487093D+01
      3   0.120448D+01  0.176565D+01  0.290618D+00 -0.801772D-01  0.214613D+01
               161           162           163           164           165 
      1   0.404354D+01 -0.531236D+01 -0.961676D+00 -0.148094D+00  0.143163D+01
      2  -0.387694D+00 -0.244997D+01 -0.500626D+01  0.159244D+01  0.436894D+01
      3   0.205573D+01 -0.176851D+01 -0.517686D+00 -0.468049D+01 -0.170287D+00
               166           167           168           169           170 
      1   0.475178D+00 -0.124364D+01 -0.379185D+01  0.273894D+01 -0.835162D+00
      2   0.252107D+01 -0.807376D+01 -0.754239D+01  0.592430D+01 -0.977259D+01
      3  -0.312608D+01  0.104835D+02  0.521878D+01  0.434898D+01  0.983421D+01
               171           172           173           174           175 
      1  -0.394632D+01  0.168852D+01 -0.146624D+00  0.200038D+01 -0.132790D+01
      2  -0.965792D+01  0.635128D+01 -0.262938D+01  0.653591D+01 -0.153323D+01
      3   0.533228D+01 -0.289372D+00 -0.550625D+01  0.789506D+00 -0.195943D+01
               176           177           178           179           180 
      1   0.830315D+00 -0.331799D+01  0.188501D+01 -0.371001D+00  0.518714D+01
      2   0.303853D+01 -0.471556D+01  0.231565D+01 -0.762227D+01  0.131806D+02
      3   0.430488D+01 -0.206217D+01 -0.321515D+01 -0.677820D+01  0.424512D+01
               181           182           183           184           185 
      1   0.288129D+01  0.167154D+01  0.144488D+01  0.624707D+00 -0.604513D+00
      2  -0.104737D+02  0.138635D+01 -0.652649D+01  0.121931D+01 -0.483801D+01
      3  -0.205552D+01  0.367608D+01 -0.274738D+01  0.580926D+01 -0.551585D+01
               186           187           188           189           190 
      1  -0.223971D+01  0.167205D+01  0.199682D+01  0.302281D+01  0.118620D+01
      2   0.761661D+01 -0.104941D+02  0.673392D+01 -0.212847D+02 -0.460907D+01
      3   0.430801D+01 -0.317830D+01  0.533721D+01 -0.832898D+01  0.476564D+01
               191           192           193           194           195 
      1  -0.100644D+01 -0.294662D+00 -0.145940D+01  0.393797D+01  0.856838D+00
      2   0.164579D+01  0.595115D+01  0.393106D+01 -0.120147D+02 -0.166109D+02
      3  -0.526847D+01 -0.267322D+01 -0.767432D+01  0.161922D+02  0.131218D+02
               196           197           198           199           200 
      1  -0.110717D+01  0.492318D+01  0.207729D+01  0.179228D+00 -0.448378D-01
      2   0.965208D+01 -0.138344D+02 -0.240060D+02  0.119490D+02 -0.401556D+01
      3  -0.439946D+01  0.154652D+02  0.141946D+02  0.470953D+01 -0.779053D+01
               201           202           203           204           205 
      1   0.546271D+00 -0.687410D+00 -0.900021D-01 -0.122054D+01 -0.230098D-01
      2   0.125177D+02 -0.517065D+01  0.430806D+01 -0.973143D+01  0.147768D+02
      3   0.360089D+01 -0.738598D+01  0.656734D+01 -0.321446D+01  0.575101D+01
               206           207           208           209           210 
      1   0.158850D+01  0.719164D+00 -0.187128D+01 -0.199719D+01 -0.598605D+00
      2  -0.837320D+01  0.233159D+02 -0.171171D+01 -0.230093D+01  0.680870D+01
      3  -0.895215D+01  0.779636D+01 -0.123279D+02 -0.147206D+02  0.422575D+01
               211           212           213           214           215 
      1  -0.227900D+01 -0.433596D+01 -0.156392D+01 -0.955596D-02  0.190414D+01
      2  -0.445084D+01 -0.574956D+01  0.743806D+01  0.705111D+01  0.265693D+01
      3  -0.193596D+02 -0.300922D+02  0.820404D+01  0.502236D+01  0.792938D+01
               216           217           218           219           220 
      1   0.440026D+00 -0.341560D+01  0.195953D+01 -0.447698D+01  0.148216D+01
      2  -0.499202D+01  0.485307D+01  0.193409D+00  0.824248D+01 -0.600410D+00
      3  -0.310027D+01  0.330557D+00 -0.482051D+01  0.211438D+01 -0.176453D+01
               221           222           223           224           225 
      1  -0.216317D+01  0.278441D+01 -0.412764D+01  0.472495D+01 -0.120975D+02
      2   0.148706D+01 -0.718589D+01  0.196335D+01 -0.487243D+00  0.208129D+02
      3   0.248616D+01 -0.246027D+01  0.324118D+01 -0.574979D+01  0.305809D+01
               226           227           228           229           230 
      1  -0.363859D+01 -0.120337D+01  0.250554D+01 -0.433527D+00  0.357275D+00
      2   0.146860D+02 -0.292826D+01 -0.352809D+01 -0.171327D+01  0.159884D+01
      3  -0.217738D+02  0.631521D+01  0.513123D+01  0.605557D+01 -0.486889D+01
               231           232           233           234           235 
      1  -0.578192D+00  0.241108D+01  0.156070D+01 -0.163611D+01  0.166621D+01
      2   0.722371D-01 -0.580749D+01  0.540909D+00  0.326936D+01 -0.108811D+01
      3  -0.116730D+01  0.390863D+01 -0.234998D+00 -0.192157D+01 -0.591728D+01
               236           237           238           239           240 
      1   0.299627D+01 -0.309163D+01  0.442928D+01  0.756921D+01 -0.467936D+01
      2  -0.152658D+01  0.420253D+01 -0.325540D+01 -0.351331D+01  0.443640D+01
      3  -0.998893D+01 -0.252581D+00 -0.539165D+01 -0.267603D+02 -0.149092D+00
               241           242           243           244           245 
      1  -0.207619D+01 -0.128437D+01  0.130923D+01  0.330744D+00 -0.628891D+00
      2   0.242077D+01  0.262287D+01 -0.931486D+00 -0.656100D+01  0.606516D+00
      3   0.155887D+01  0.599370D+01 -0.117777D+01 -0.102338D+01 -0.238417D+01
               246           247           248           249           250 
      1  -0.777320D+00 -0.354013D+00  0.621966D+00 -0.454885D+00 -0.131506D+01
      2   0.402569D+01  0.292076D+00 -0.142136D+01  0.159380D-01  0.583704D+00
      3  -0.104122D+01 -0.126212D+01  0.110432D+01  0.202168D+01 -0.131387D+01
               251           252           253           254           255 
      1   0.354354D+01  0.246287D+01 -0.150892D+01  0.785098D+00 -0.287973D+01
      2  -0.364891D-01 -0.199767D+02  0.955346D+01  0.102892D+01  0.711109D+01
      3   0.367164D+01  0.149731D+01 -0.189684D+02 -0.160755D+02  0.209109D+01
               256           257           258           259           260 
      1  -0.117243D+01 -0.587618D+01  0.924875D+00 -0.873481D+00  0.574895D+01
      2   0.407811D+01  0.101777D+02 -0.361369D+01  0.523211D+01 -0.562801D+01
      3  -0.808991D+01  0.142593D+02 -0.930066D+01  0.166583D+01 -0.118110D+02
               261           262           263           264           265 
      1   0.850937D+01  0.547135D+00 -0.811904D+00  0.125340D+01 -0.238694D+01
      2  -0.189074D+02 -0.703782D-01 -0.484444D+00  0.913308D+00 -0.868330D+00
      3   0.642198D+01  0.349027D+01 -0.550950D+01 -0.671170D+00 -0.445461D+01
               266           267           268           269           270 
      1   0.664286D+01 -0.448861D+01  0.930067D+00 -0.205325D+01  0.255039D+01
      2   0.229701D+01 -0.504072D+01  0.980813D+00 -0.396535D+01  0.175381D+01
      3   0.299913D+02 -0.359004D+00  0.279194D+01 -0.131510D+02  0.337177D+01
               271           272           273           274           275 
      1  -0.163663D+01 -0.575000D+00  0.966104D+00 -0.325811D+00 -0.167469D+01
      2   0.447799D+01 -0.387632D+00 -0.210777D+01  0.113008D+01  0.222748D+01
      3  -0.924943D-01  0.158887D+01  0.136388D+01  0.108421D+01 -0.202774D+01
               276           277           278           279           280 
      1  -0.190760D+01  0.180354D+00  0.970926D+00 -0.118391D+02  0.855580D+00
      2   0.275953D+01 -0.264192D+01  0.528813D+01  0.237255D+02 -0.348994D+01
      3  -0.174826D+01  0.200109D+01 -0.617214D+01 -0.485085D+01  0.161576D+02
               281           282           283           284           285 
      1   0.111862D+00 -0.251458D+01  0.316583D+00  0.705500D+00 -0.473918D+00
      2   0.211015D+00  0.794521D+01 -0.732956D+00 -0.122775D+01  0.205195D+00
      3  -0.696990D+01 -0.119744D+01 -0.346140D+01  0.427032D+00  0.111735D+01
               286           287           288           289           290 
      1  -0.195599D+01  0.346654D+00 -0.310415D+00  0.146083D+01 -0.484884D+00
      2   0.369794D+01  0.967962D+00  0.507089D+00 -0.224545D+01  0.889495D+00
      3  -0.128296D+01  0.211875D+01  0.513886D+00 -0.435368D+01  0.827221D+01
               291           292           293           294           295 
      1   0.202499D+01 -0.195145D+00  0.407332D+01 -0.542812D+01  0.851334D+00
      2  -0.178033D+01 -0.214009D-01 -0.591996D+01  0.496939D+01 -0.209256D+01
      3  -0.211088D+01  0.487436D+01 -0.269078D+02  0.658860D+01 -0.222934D+01
               296           297 
      1  -0.204833D+01  0.240322D+01
      2   0.507671D+01 -0.280251D+01
      3   0.107927D+02 -0.566847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627459D+01  0.275871D+01 -0.247753D+02  0.830497D+01 -0.123665D+02
      2   0.485137D+01 -0.352772D+01  0.770791D+01 -0.771055D+01  0.127608D+02
      3   0.142322D+01  0.769016D+00  0.170674D+02 -0.594419D+00 -0.394283D+00
      4   0.550785D+01  0.350831D+01  0.352791D+01  0.114994D+02 -0.281657D+01
      5  -0.119969D+02  0.347864D+01 -0.642421D+01  0.423805D+01  0.613081D+01
      6   0.286294D+01  0.475489D+01 -0.287516D+01  0.444694D+01 -0.975568D+01
                 6             7             8             9            10 
      1   0.987674D+01  0.371937D+02  0.337533D+01  0.593644D+01  0.541137D+02
      2  -0.113454D+02 -0.382239D+01 -0.607323D+01  0.331807D+01 -0.227224D+02
      3   0.146869D+01 -0.333713D+02  0.269790D+01 -0.925451D+01 -0.313913D+02
      4   0.572974D+01 -0.277291D+01  0.468420D+01  0.314195D+01 -0.133956D+02
      5   0.279594D+01  0.404924D-01  0.216616D+01 -0.100271D+02 -0.105885D+02
      6   0.137535D+02  0.532381D+01  0.442002D+01  0.290618D+01  0.680440D+01
                11            12            13            14            15 
      1   0.694277D+01 -0.512673D+01  0.683003D+01  0.126233D+01  0.619319D+00
      2  -0.596525D+01  0.982627D+00 -0.119547D+02  0.883151D+01  0.125581D+01
      3  -0.977520D+00  0.414411D+01  0.512464D+01 -0.100938D+02 -0.187513D+01
      4  -0.166052D+01  0.239782D+00  0.220370D+02 -0.534664D+01 -0.933264D+00
      5  -0.511853D+00  0.921006D+01  0.433695D+01  0.380122D-02 -0.322199D+01
      6   0.155248D+01 -0.820456D+01  0.111613D+01  0.186400D+01  0.610159D+01
                16            17            18            19            20 
      1  -0.918566D+01 -0.155755D+01 -0.172404D+02  0.606293D+01 -0.605787D+01
      2  -0.953330D+00  0.345333D+01 -0.192880D+01 -0.395034D+00  0.522847D+01
      3   0.101390D+02 -0.189578D+01  0.191692D+02 -0.566790D+01  0.829402D+00
      4   0.995726D+00 -0.120210D+01 -0.417246D+01 -0.407712D+01 -0.135815D+00
      5  -0.137642D+02 -0.382495D+01  0.106424D+01  0.109478D+02 -0.159525D+00
      6  -0.186408D+01 -0.330631D+01 -0.154829D+01 -0.180633D+01 -0.595112D+01
                21            22            23            24            25 
      1   0.244614D+02 -0.575451D+00 -0.117978D+02 -0.712949D+00 -0.218909D+02
      2  -0.112105D+02  0.218683D+01  0.888307D+01 -0.690696D+01 -0.311501D+01
      3  -0.132509D+02 -0.161138D+01  0.291469D+01  0.761991D+01  0.250059D+02
      4   0.106786D+01  0.138679D+02  0.337725D+01 -0.523681D+01 -0.406486D+01
      5  -0.113742D+02 -0.403991D+01 -0.447460D+01  0.184667D+01  0.502386D+01
      6   0.753701D+01 -0.446282D+01 -0.625299D+01  0.155788D+02 -0.269005D+01
                26            27            28            29            30 
      1   0.124172D+01  0.911852D+01  0.212525D+02 -0.109592D+01  0.265303D+01
      2  -0.331849D+01  0.578554D+01 -0.305007D+01  0.512291D+01  0.204872D+01
      3   0.207676D+01 -0.149041D+02 -0.182024D+02 -0.402699D+01 -0.470176D+01
      4  -0.657221D+01 -0.769001D+00  0.240153D+02  0.191711D+00 -0.324270D-01
      5  -0.618278D+00  0.106429D+02 -0.511436D+00 -0.715717D-01  0.718395D+01
      6   0.655391D+01  0.709831D+00 -0.898957D+00 -0.282724D+01  0.413860D+01
                31            32            33            34            35 
      1  -0.299031D+01  0.181972D+01  0.124687D+01 -0.287478D+01  0.375937D+01
      2   0.519814D+01  0.690445D+01 -0.897144D+00 -0.681578D+00  0.382800D+00
      3  -0.220783D+01 -0.872418D+01 -0.349722D+00  0.355635D+01 -0.414217D+01
      4   0.205184D+02  0.199058D+01  0.195120D+01  0.506879D+00  0.615056D+01
      5   0.369469D+00  0.131801D+01 -0.400004D+00 -0.186764D+02  0.402038D-01
      6  -0.340786D+01  0.658164D+00  0.331461D+01  0.142567D+01 -0.384782D+01
                36            37            38            39            40 
      1  -0.216794D+02  0.229905D+01 -0.177703D+01 -0.247075D+02 -0.276379D+01
      2  -0.658353D+00 -0.123034D+01  0.269298D+01  0.990170D+01  0.126275D+01
      3   0.223378D+02 -0.106871D+01 -0.915959D+00  0.148058D+02  0.150105D+01
      4  -0.217412D+01 -0.186893D+01  0.183668D+01  0.699155D+00  0.565192D+01
      5  -0.164873D+01 -0.188673D+02  0.139645D+01 -0.153516D+01  0.256190D+01
      6  -0.380811D+01  0.476518D+01  0.568431D+01  0.486310D+01  0.653896D+01
                41            42            43            44            45 
      1  -0.904925D+01 -0.148156D+01  0.242335D+02 -0.418551D+01  0.104111D+02
      2   0.944579D+01  0.287950D+01  0.272432D+01  0.170975D+01  0.105205D+01
      3  -0.396533D+00 -0.139794D+01 -0.269579D+02  0.247575D+01 -0.114632D+02
      4   0.195447D+01  0.654704D+01  0.598624D+01  0.519532D+01  0.196806D+01
      5   0.404531D+01  0.227328D+01  0.121714D+02  0.630987D+00 -0.915165D+01
      6   0.357523D+01  0.973380D+01  0.176614D+00  0.439754D+01  0.497176D+01
                46            47            48            49            50 
      1  -0.283693D+01 -0.196661D+01  0.215317D+02  0.606523D+01 -0.111643D+02
      2   0.626320D+01 -0.219131D+00 -0.832301D+01 -0.286493D+01  0.103028D+02
      3  -0.342627D+01  0.218574D+01 -0.132087D+02 -0.320030D+01  0.861499D+00
      4   0.357608D+01  0.119148D+01 -0.205696D+01  0.372832D+01  0.303721D+00
      5   0.212569D+02 -0.165549D+01 -0.652465D+01 -0.584404D+01 -0.364769D+01
      6  -0.434274D+01 -0.334768D+01 -0.763278D-02 -0.346685D+01  0.729087D+01
                51            52            53            54            55 
      1  -0.116527D+02 -0.289016D+02 -0.415607D+01  0.108324D+02 -0.393541D+02
      2   0.854757D+01  0.387841D+01  0.445842D+01  0.638094D+01  0.179068D+02
      3   0.310513D+01  0.250232D+02 -0.302354D+00 -0.172133D+02  0.214472D+02
      4  -0.494684D+01  0.439226D+01 -0.353884D+01  0.205772D+00  0.256758D+01
      5   0.201457D+00  0.966583D+01  0.339811D+00  0.943560D+01  0.173564D+01
      6   0.134053D+02 -0.159891D+01  0.550504D+01  0.198886D+01 -0.596722D+01
                56            57            58            59            60 
      1  -0.814874D+01 -0.204572D+01 -0.454313D+02 -0.254421D+02  0.861799D+01
      2   0.519874D+01  0.157263D+01  0.249768D+02  0.111564D+02 -0.599922D+01
      3   0.295000D+01  0.473087D+00  0.204545D+02  0.142857D+02 -0.261877D+01
      4  -0.187158D+02  0.161430D+01 -0.461116D+02  0.102924D+02  0.103767D+02
      5   0.237667D+01 -0.153921D+02  0.610799D+01  0.107322D+02  0.240379D+02
      6  -0.128204D+01  0.537177D+01  0.317933D+01 -0.708885D+01 -0.103783D+02
                61            62            63            64            65 
      1   0.777018D+01  0.783517D+01 -0.119774D+02 -0.306628D+02  0.950546D+01
      2  -0.946306D-01 -0.392612D+01  0.346258D+01  0.222441D+02 -0.448573D+01
      3  -0.767555D+01 -0.390905D+01  0.851487D+01  0.841876D+01 -0.501974D+01
      4   0.175697D+01  0.123729D+02  0.341726D+02  0.118109D+02  0.264647D+02
      5  -0.317235D+02  0.306574D+02 -0.104300D+02  0.272286D+02 -0.585982D+01
      6   0.146870D+02 -0.117744D+02 -0.815344D+00  0.585959D+01  0.219791D+00
                66            67            68            69            70 
      1   0.288089D+02  0.500452D+02  0.425473D+02 -0.116629D+02  0.303244D+02
      2  -0.146499D+02 -0.201367D+02 -0.174548D+02  0.360593D+01 -0.152634D+02
      3  -0.141590D+02 -0.299084D+02 -0.250924D+02  0.805700D+01 -0.150610D+02
      4  -0.396938D+01  0.470072D+02  0.423682D+01 -0.131180D+02 -0.717665D+01
      5   0.168415D+02 -0.173589D+02 -0.148820D+02 -0.284803D+02  0.324636D+02
      6   0.626127D+01 -0.351148D+01 -0.172334D+01 -0.604829D+01  0.842194D+00
                71            72            73            74            75 
      1  -0.692872D+01  0.386275D+02  0.402025D+02 -0.120739D+02 -0.292240D+02
      2  -0.377639D+01 -0.195504D+02 -0.243036D+02  0.325355D+01  0.136766D+02
      3   0.107051D+02 -0.190771D+02 -0.158990D+02  0.882035D+01  0.155474D+02
      4  -0.140185D+02 -0.265176D+02 -0.176482D+02 -0.380025D+02  0.128335D+02
      5  -0.285241D+02  0.239618D+02 -0.258974D+02  0.141518D+02 -0.256989D+02
      6  -0.416980D+01  0.790568D+01  0.244958D+01  0.647982D+01 -0.880669D+00
                76            77            78            79            80 
      1  -0.247957D+02 -0.465778D+02  0.200018D+02 -0.324054D+02  0.174416D+02
      2   0.568360D+01  0.237691D+02 -0.177406D+01  0.143353D+02 -0.943741D+00
      3   0.191121D+02  0.228087D+02 -0.182277D+02  0.180701D+02 -0.164978D+02
      4  -0.605907D+02 -0.238682D+02  0.325110D+02  0.158096D+02  0.278248D+02
      5   0.203523D+02  0.354434D+02  0.394424D+02 -0.432160D+02  0.396841D+02
      6   0.113007D+02  0.480160D+01 -0.623899D+01  0.481255D+00 -0.578141D+01
                81            82            83            84            85 
      1  -0.394908D+02  0.506986D+02 -0.972018D+01 -0.135706D+02 -0.147360D+02
      2   0.241987D+02 -0.334944D+02 -0.744352D+01  0.163516D+02 -0.104287D+02
      3   0.152920D+02 -0.172042D+02  0.171637D+02 -0.278103D+01  0.251647D+02
      4   0.382047D+02 -0.580085D+01 -0.282055D+02  0.225991D+01 -0.370448D+02
      5  -0.118849D+01 -0.110107D+02  0.493556D+01 -0.168657D+02  0.851822D+01
      6  -0.614923D+01 -0.532852D+01 -0.642819D-02 -0.524653D+01  0.849857D+00
                86            87            88            89            90 
      1  -0.235686D+02 -0.682485D+00 -0.150801D+02 -0.144093D+01 -0.233187D+02
      2  -0.780247D+01 -0.121212D+01  0.184586D+02  0.405694D+01  0.275902D+02
      3   0.313711D+02  0.189461D+01 -0.337845D+01 -0.261601D+01 -0.427154D+01
      4  -0.388671D+02  0.139180D+02  0.343784D+01  0.230997D+02  0.133028D+02
      5   0.107234D+02  0.235623D+02 -0.254921D+02  0.198404D+02 -0.318600D+02
      6   0.616634D+01  0.101349D+02 -0.365699D+01  0.829199D+01 -0.334631D+01
                91            92            93            94            95 
      1   0.879586D+01 -0.160802D+01  0.571500D+00 -0.140612D+02 -0.187810D+02
      2  -0.100740D+02 -0.514033D+01 -0.311425D+01  0.367402D+01  0.389744D+01
      3   0.127810D+01  0.674836D+01  0.254275D+01  0.103872D+02  0.148836D+02
      4  -0.194189D+02 -0.169289D+02 -0.522413D+01 -0.463346D+02  0.906933D+01
      5  -0.494413D+00 -0.446190D+01 -0.586556D+01 -0.399403D+01 -0.100152D+02
      6  -0.184547D+01 -0.788648D+00 -0.348247D+01 -0.422485D+01 -0.216328D+01
                96            97            98            99           100 
      1  -0.153738D+01 -0.104958D+02 -0.374612D+01 -0.781972D+00 -0.228903D+01
      2   0.166781D+01 -0.495728D+01 -0.694139D+00  0.114227D+02  0.219284D+01
      3  -0.130427D+00  0.154530D+02  0.444026D+01 -0.106408D+02  0.961914D-01
      4  -0.100004D+02 -0.106868D+02 -0.200331D+02  0.530010D+00  0.853564D+01
      5  -0.519219D+00 -0.946976D+01  0.156344D+01  0.376299D+02 -0.184977D+02
      6   0.952632D+00 -0.215143D+01  0.269016D+01  0.305953D+01  0.525518D+01
               101           102           103           104           105 
      1   0.295445D+01 -0.820922D+01  0.118461D+02  0.849253D+01  0.527610D+01
      2  -0.355458D-01  0.899232D+01 -0.105103D+02 -0.303959D+01 -0.100779D+02
      3  -0.291890D+01 -0.783101D+00 -0.133581D+01 -0.545294D+01  0.480181D+01
      4   0.365179D+00  0.571659D+01  0.624126D+01 -0.187941D+02  0.168882D+02
      5   0.530911D+01 -0.694158D+01 -0.180895D+01  0.169752D+02  0.149026D+02
      6  -0.444657D+01  0.614886D+01  0.636880D+01 -0.155728D+02 -0.950435D+01
               106           107           108           109           110 
      1  -0.274081D+02  0.607186D+01 -0.983632D+01  0.402493D+02 -0.573971D+01
      2   0.180962D+02 -0.242790D+01  0.116399D+02 -0.258359D+02  0.122694D+01
      3   0.931191D+01 -0.364396D+01 -0.180362D+01 -0.144134D+02  0.451277D+01
      4   0.154839D+02 -0.106456D+02  0.163200D+02 -0.143067D+02  0.164881D+02
      5  -0.289097D+02  0.143770D+02 -0.404759D+02  0.375573D+02 -0.444707D+01
      6   0.120078D+02 -0.176072D+02  0.136843D+02 -0.103121D+02  0.342128D+01
               111           112           113           114           115 
      1   0.270307D+02 -0.309407D+01  0.131250D+01  0.104513D+01  0.424675D+02
      2  -0.194879D+02 -0.831724D+00  0.239306D+01  0.501536D+00 -0.264689D+02
      3  -0.754279D+01  0.392579D+01 -0.370556D+01 -0.154667D+01 -0.159986D+02
      4  -0.852953D+01  0.147764D+02 -0.503261D+01  0.114017D+02 -0.200060D+02
      5   0.270689D+02 -0.617444D+01  0.111965D+02 -0.106294D+02  0.470654D+02
      6  -0.607497D+01  0.455958D+01 -0.586690D+01  0.132379D+02 -0.126723D+02
               116           117           118           119           120 
      1  -0.134550D+01  0.100452D+02  0.133978D+01 -0.141512D+02 -0.104115D+02
      2  -0.415746D+01 -0.309220D+02 -0.898423D+00  0.164308D+02  0.443220D+01
      3   0.550295D+01  0.208768D+02 -0.441360D+00 -0.227959D+01  0.597933D+01
      4   0.322336D+02 -0.142306D+02 -0.300770D+01 -0.493298D+01  0.722679D+01
      5  -0.127571D+02  0.751194D+02 -0.947804D+01  0.228793D+01  0.462203D+01
      6   0.166118D+02 -0.280695D+02  0.506529D+01 -0.289433D+00 -0.327211D+00
               121           122           123           124           125 
      1  -0.772573D+01 -0.965333D+01 -0.540746D+01 -0.125394D+02 -0.736746D+01
      2   0.139096D+02 -0.482720D+01  0.118503D+02  0.186310D+00  0.214561D+02
      3  -0.618389D+01  0.144805D+02 -0.644283D+01  0.123531D+02 -0.140886D+02
      4  -0.573550D+01  0.328132D+02 -0.219528D+02  0.208061D+02 -0.375711D+02
      5   0.953447D+01 -0.222108D+02 -0.670901D+01  0.130948D+02 -0.163988D+02
      6  -0.607266D+01  0.220147D+02  0.113158D+02 -0.529638D+01  0.179198D+02
               126           127           128           129           130 
      1  -0.445734D+01  0.111219D+01  0.193019D+01 -0.400381D+01 -0.101668D+01
      2  -0.828585D+00 -0.653515D+01 -0.899661D+00 -0.596011D+01  0.172142D+01
      3   0.528592D+01  0.542296D+01 -0.103053D+01  0.996392D+01 -0.704744D+00
      4  -0.141954D+02 -0.576028D+01  0.455844D+01 -0.526717D+01  0.132209D+01
      5  -0.237933D+02  0.172515D+02 -0.304093D+01  0.175143D+02 -0.291256D+01
      6   0.182553D+02 -0.629038D+01  0.422577D+01 -0.714251D+01  0.185919D+01
               131           132           133           134           135 
      1  -0.164555D+01  0.168661D+01 -0.488952D+01  0.458465D+01 -0.209550D+02
      2  -0.902794D-01  0.104875D+01 -0.736534D+01 -0.874959D+00 -0.118041D+02
      3   0.173582D+01 -0.273536D+01  0.122549D+02 -0.370969D+01  0.327590D+02
      4  -0.166496D+01  0.235826D+01 -0.464422D+01  0.444547D+01 -0.654538D+01
      5   0.240808D+01 -0.364565D+01  0.180315D+02 -0.369711D+01  0.260047D+02
      6  -0.144503D+01  0.341159D+01 -0.702300D+01  0.803226D+01 -0.144573D+02
               136           137           138           139           140 
      1  -0.240285D+01 -0.324098D+00  0.615003D+01 -0.506124D+00 -0.161848D+01
      2  -0.567783D+01  0.196313D+00  0.609942D+01  0.508234D-02 -0.363846D+00
      3   0.808068D+01  0.127785D+00 -0.122494D+02  0.501042D+00  0.198232D+01
      4   0.280453D+01  0.225457D+01 -0.267062D+01  0.397462D+00 -0.118426D+00
      5  -0.117706D+02 -0.761179D+00  0.149085D+02  0.889625D-02 -0.140861D+01
      6  -0.283339D+01 -0.230947D+01  0.321054D+01 -0.429278D+00 -0.424381D+00
               141           142           143           144           145 
      1   0.827925D+00  0.800044D+01  0.301557D+01 -0.322999D+02  0.363958D+01
      2   0.278755D+00  0.639963D+01 -0.873397D+00 -0.162116D+02 -0.497773D+01
      3  -0.110668D+01 -0.144001D+02 -0.214217D+01  0.485115D+02  0.133815D+01
      4  -0.101704D+01 -0.311697D+01 -0.310562D+01  0.413634D+01  0.604240D+00
      5  -0.180146D+00  0.143584D+02  0.156105D+01 -0.231345D+02  0.109672D+02
      6   0.256730D+01  0.451842D+01  0.754701D+01 -0.122461D+02  0.144426D+01
               146           147           148           149           150 
      1  -0.600839D+00 -0.205651D+01 -0.736016D+00 -0.529370D+00  0.141218D+01
      2   0.718767D+00 -0.393990D+01  0.516478D+00 -0.449608D+00  0.580596D+00
      3  -0.117927D+00  0.599642D+01  0.219538D+00  0.978978D+00 -0.199277D+01
      4   0.328578D+01  0.697969D+00  0.161538D+01 -0.112378D+01  0.585674D+00
      5  -0.101738D+01  0.103308D+02 -0.116620D+01  0.200404D+01 -0.194391D+01
      6   0.168633D+01  0.154031D+01  0.209228D+00 -0.817872D+00  0.111264D+01
               151           152           153           154           155 
      1  -0.352732D+01  0.692466D+00 -0.156229D+02  0.517754D+00  0.147009D+01
      2  -0.537024D+01  0.915884D+00 -0.900569D+01 -0.520049D+01 -0.108368D+01
      3   0.889757D+01 -0.160835D+01  0.246286D+02  0.468274D+01 -0.386412D+00
      4   0.121157D+01  0.310852D+01  0.127058D+01 -0.165123D+01  0.231433D+01
      5   0.131759D+02 -0.947120D+00  0.177503D+02 -0.982907D+01  0.525549D+00
      6   0.219435D+01  0.459058D+01  0.378967D+01  0.329161D+01 -0.198234D+01
               156           157           158           159           160 
      1   0.317309D+01 -0.106047D+01 -0.158524D+01  0.124969D+01  0.340212D+01
      2   0.496239D+01  0.594388D+00 -0.213697D+00 -0.361580D-01  0.677321D+01
      3  -0.813547D+01  0.466082D+00  0.179893D+01 -0.121353D+01 -0.101753D+02
      4   0.222009D+01  0.122355D+01 -0.637601D+00 -0.118825D+01  0.163562D+01
      5   0.125314D+02  0.604557D+00 -0.189599D+01 -0.786293D+00  0.136292D+02
      6  -0.433750D+01 -0.125848D+01  0.151180D+00  0.191779D+01 -0.388728D+01
               161           162           163           164           165 
      1  -0.192980D+01 -0.248171D+02  0.125025D+02 -0.503032D+01 -0.647798D+01
      2   0.121631D+01 -0.129698D+02 -0.457855D+01  0.724149D+00  0.266924D+01
      3   0.713497D+00  0.377869D+02 -0.792394D+01  0.430617D+01  0.380874D+01
      4  -0.297756D+01 -0.285663D+01 -0.121266D+02  0.154322D+02  0.639004D+01
      5  -0.459773D+00 -0.211429D+02 -0.110641D+02  0.500916D+01  0.879422D+01
      6   0.631801D+01  0.105511D+02  0.502565D+01 -0.228321D+01 -0.271442D+01
               166           167           168           169           170 
      1  -0.406230D+01 -0.369929D+01 -0.344219D+01 -0.227631D+02 -0.566407D+01
      2  -0.217798D+01  0.129422D+02  0.556644D+01  0.985638D+01  0.679612D+01
      3   0.624028D+01 -0.924294D+01 -0.212425D+01  0.129067D+02 -0.113206D+01
      4   0.232463D+02 -0.312472D+02 -0.167294D+02  0.155620D+02 -0.247368D+02
      5   0.823980D+01 -0.152084D+02 -0.133130D+02  0.203484D+02 -0.179375D+02
      6  -0.591887D+01  0.124574D+02  0.106720D+02 -0.968106D+01  0.126386D+02
               171           172           173           174           175 
      1   0.132163D+00  0.177258D+02 -0.398612D+01  0.870305D+01 -0.765669D-01
      2  -0.119780D+01 -0.890226D+01 -0.119073D+00 -0.453567D+01 -0.234286D+01
      3   0.106564D+01 -0.882358D+01  0.410519D+01 -0.416738D+01  0.241942D+01
      4  -0.208666D+02 -0.118814D+02  0.151050D+02 -0.854866D+01  0.138264D+02
      5  -0.206064D+02  0.151293D+02 -0.701935D+01  0.137128D+02 -0.547830D+01
      6   0.121689D+02 -0.491938D+01  0.263317D+01 -0.357054D+01  0.381630D+01
               176           177           178           179           180 
      1   0.970368D+00  0.946225D+00  0.219187D+02  0.746623D+00  0.158426D+01
      2   0.379496D+01 -0.229440D+01 -0.108435D+02 -0.292047D+01 -0.344654D+01
      3  -0.476533D+01  0.134817D+01 -0.110752D+02  0.217385D+01  0.186228D+01
      4  -0.157209D+02  0.868618D+01 -0.140015D+02  0.178578D+02 -0.181885D+02
      5   0.824953D+01 -0.897508D+01  0.184922D+02 -0.161183D+02  0.276253D+02
      6  -0.546847D+01  0.781784D+01 -0.675564D+01  0.935146D+01 -0.103746D+02
               181           182           183           184           185 
      1  -0.117068D+02  0.300588D+01 -0.150573D+02  0.194306D+01 -0.153426D+02
      2   0.352729D+01 -0.167978D+01  0.509535D+01 -0.164524D+01  0.910918D+01
      3   0.817956D+01 -0.132609D+01  0.996190D+01 -0.297822D+00  0.623344D+01
      4  -0.250680D+01 -0.562596D+01  0.820249D+00 -0.229829D+01  0.740500D+01
      5  -0.784124D+01  0.127042D+01 -0.542915D+01  0.674312D+00 -0.526776D+01
      6  -0.438679D+01  0.182476D+01 -0.476545D+01  0.186921D+01 -0.573784D+01
               186           187           188           189           190 
      1   0.807549D+01 -0.276086D+02  0.792927D+01 -0.247812D+02  0.121335D+02
      2  -0.384870D+01  0.114550D+02 -0.190257D+01 -0.133697D+00 -0.817855D+01
      3  -0.422679D+01  0.161536D+02 -0.602670D+01  0.249149D+02 -0.395494D+01
      4  -0.500744D+01 -0.436436D+00 -0.841383D+01  0.100552D+02 -0.923677D+01
      5   0.133419D+02 -0.143402D+01  0.115121D+02 -0.328073D+02 -0.120955D+02
      6   0.101591D+02 -0.262681D+01  0.802232D+01 -0.135349D+02  0.261696D+01
               191           192           193           194           195 
      1  -0.948014D+01 -0.102086D+02 -0.260093D+02  0.124793D+02  0.699463D+01
      2   0.576634D+01  0.685859D+01  0.161350D+02 -0.733962D+01 -0.971577D+01
      3   0.371380D+01  0.334996D+01  0.987424D+01 -0.513971D+01  0.272114D+01
      4   0.111055D+02  0.580568D+01  0.227583D+02 -0.301806D+02 -0.257692D+02
      5   0.679930D+01  0.156403D+02  0.178666D+02 -0.266503D+02 -0.340177D+02
      6  -0.179614D+01 -0.116000D+01 -0.456667D+01  0.818778D+01  0.822412D+01
               196           197           198           199           200 
      1  -0.265870D+02  0.414426D+01  0.151712D+02  0.477801D+02 -0.106577D+02
      2   0.192023D+02 -0.739701D+01 -0.221321D+02 -0.236628D+02  0.518576D+01
      3   0.738462D+01  0.325275D+01  0.696098D+01 -0.241172D+02  0.547193D+01
      4   0.113812D+02 -0.285183D+02 -0.266693D+02 -0.951156D+01  0.147541D+02
      5   0.340414D+02 -0.279765D+02 -0.515162D+02  0.211452D+02 -0.745577D+01
      6  -0.274994D+01  0.871951D+01  0.758193D+01 -0.676802D+00 -0.824017D+00
               201           202           203           204           205 
      1   0.231608D+02 -0.229304D+02  0.165865D+02 -0.997113D+01  0.597952D+02
      2  -0.105482D+02  0.113284D+02 -0.689028D+01  0.337488D+01 -0.304549D+02
      3  -0.126126D+02  0.116020D+02 -0.969621D+01  0.659626D+01 -0.293403D+02
      4  -0.743428D+01  0.208779D+02 -0.126775D+02  0.690442D+01 -0.123536D+02
      5   0.221800D+02 -0.993388D+01  0.656819D+01 -0.171057D+02  0.331199D+02
      6   0.326350D+00 -0.154439D+00 -0.146366D+01  0.286288D+01 -0.159761D+00
               206           207           208           209           210 
      1  -0.125484D+02  0.281009D+02  0.498857D+02  0.271158D+02 -0.884247D+01
      2   0.511428D+01 -0.165315D+02 -0.220497D+02 -0.112175D+02  0.527464D+01
      3   0.743411D+01 -0.115694D+02 -0.278360D+02 -0.158984D+02  0.356783D+01
      4   0.161549D+02 -0.147466D+02  0.341082D+02  0.324527D+02 -0.995526D+01
      5  -0.152655D+02  0.421988D+02 -0.148321D+02 -0.112745D+02  0.147428D+02
      6   0.254795D+01  0.296476D+00 -0.602946D+01 -0.492885D+01  0.299592D+01
               211           212           213           214           215 
      1   0.609783D+02  0.317821D+02 -0.129351D+02 -0.116309D+02 -0.760080D+01
      2  -0.249650D+02 -0.585708D+01  0.669172D+01  0.722537D+01  0.331253D+01
      3  -0.360133D+02 -0.259250D+02  0.624336D+01  0.440558D+01  0.428827D+01
      4   0.546126D+02  0.624520D+02 -0.184733D+02 -0.124829D+02 -0.157033D+02
      5  -0.231699D+02 -0.194399D+02  0.172065D+02  0.219123D+02  0.868287D+01
      6  -0.985224D+01 -0.117388D+02  0.834590D+01  0.495984D+01  0.727402D+01
               216           217           218           219           220 
      1   0.128844D+02  0.116118D+02 -0.136860D+01  0.114228D+02 -0.798993D+01
      2  -0.809457D+01 -0.966373D+01  0.392909D+01 -0.126180D+02  0.761049D+01
      3  -0.478979D+01 -0.194805D+01 -0.256049D+01  0.119517D+01  0.379448D+00
      4   0.814962D+01  0.328088D+01  0.936302D+01  0.305418D+01  0.488012D+01
      5  -0.134926D+02  0.186190D+02  0.217392D+00  0.241132D+02 -0.741193D+01
      6  -0.409365D+01  0.347408D+01  0.227242D+01  0.516242D+01  0.611671D+00
               221           222           223           224           225 
      1   0.322216D+01 -0.272181D+01  0.164216D+02 -0.264270D+01  0.322640D+01
      2  -0.183783D+01  0.699344D+01 -0.161669D+02  0.556771D+01 -0.237574D+02
      3  -0.138432D+01 -0.427163D+01 -0.254667D+00 -0.292501D+01  0.205310D+02
      4  -0.163746D+01  0.376496D+01  0.522920D+01  0.899912D+01  0.259013D+01
      5   0.537597D+01 -0.164243D+02  0.246548D+02 -0.900112D+00  0.532866D+02
      6  -0.185569D+01  0.253454D+00  0.562353D+01  0.485065D+01  0.138134D+02
               226           227           228           229           230 
      1  -0.543557D+02  0.138764D+02  0.122328D+02  0.712111D+01 -0.101983D+02
      2   0.300609D+02 -0.128056D+02 -0.668301D+01 -0.526675D+01  0.103258D+02
      3   0.242949D+02 -0.107074D+01 -0.554981D+01 -0.185436D+01 -0.127534D+00
      4  -0.146095D+02 -0.491562D+01 -0.161082D+01  0.224352D+01  0.378892D+01
      5  -0.944611D+00 -0.405748D+01 -0.398941D+01 -0.112685D+01 -0.516357D+00
      6   0.303648D+01 -0.538867D+01 -0.536239D+01 -0.361345D+01  0.184336D+01
               231           232           233           234           235 
      1  -0.393143D+01  0.978727D+01 -0.273047D+01 -0.575106D+01  0.131369D+02
      2   0.234990D+01 -0.542563D+01  0.115248D+01  0.118215D+00  0.243512D+01
      3   0.158153D+01 -0.436163D+01  0.157799D+01  0.563285D+01 -0.155720D+02
      4  -0.112981D+01  0.139113D+01 -0.221265D+01 -0.995264D+00  0.266422D+02
      5  -0.198752D+01  0.265225D+01 -0.230416D+00  0.545143D+01  0.224212D+01
      6   0.178927D+01 -0.323423D+01  0.290117D+01  0.328982D+01  0.169219D+01
               236           237           238           239           240 
      1   0.112969D+02 -0.532839D+00  0.141952D+02 -0.232550D+01 -0.127324D+01
      2   0.777025D+01 -0.138112D+01  0.852374D+01  0.387498D+02 -0.102089D+01
      3  -0.190671D+02  0.191396D+01 -0.227190D+02 -0.364243D+02  0.229413D+01
      4   0.338688D+02  0.299313D+00  0.396341D+02  0.705892D+02 -0.955599D+00
      5   0.235754D+01  0.828748D+01  0.216568D+01  0.216084D+01  0.758215D+01
      6   0.231057D+01  0.387712D+01  0.187367D+01  0.506200D+01  0.727739D+01
               241           242           243           244           245 
      1  -0.541133D+01 -0.369327D+00  0.276902D+01  0.213629D+01  0.123191D+01
      2  -0.860875D+00 -0.630046D+01 -0.957071D-01 -0.601250D+01  0.239797D-01
      3   0.627221D+01  0.666978D+01 -0.267332D+01  0.387621D+01 -0.125589D+01
      4  -0.772744D+01 -0.143582D+02  0.663791D+01  0.272075D+01  0.549867D+01
      5   0.751300D+01  0.506679D+01 -0.913463D+00 -0.139247D+02  0.683164D+00
      6   0.381203D+01  0.620447D+01 -0.215507D+01 -0.107615D+01 -0.152045D+00
               246           247           248           249           250 
      1  -0.791590D+01  0.948997D+00  0.133603D+01  0.154102D+00 -0.111901D+02
      2   0.673194D+01  0.412092D+00 -0.120987D+01 -0.128130D+01  0.109415D+02
      3   0.118396D+01 -0.136109D+01 -0.126163D+00  0.112720D+01  0.248591D+00
      4  -0.313331D+00  0.867826D+01 -0.141386D+01 -0.447630D+01 -0.230635D+01
      5   0.134689D+02  0.541157D+00 -0.494420D+01 -0.739609D-01  0.193383D+02
      6   0.108059D+01 -0.133097D+01 -0.647140D+00  0.531059D+01  0.854478D+00
               251           252           253           254           255 
      1   0.545080D+00 -0.458094D+01 -0.862775D+02 -0.109409D+02  0.805278D+01
      2  -0.905511D+00 -0.174035D+02  0.473877D+02  0.150478D+02 -0.593026D+01
      3   0.360430D+00  0.219845D+02  0.388898D+02 -0.410689D+01 -0.212252D+01
      4  -0.912242D+01  0.177826D+01 -0.179898D+02  0.259923D+02  0.272154D+01
      5   0.494934D+00 -0.454399D+02  0.117234D+02  0.991230D-01  0.951311D+01
      6   0.419382D+01 -0.443206D+01  0.639706D+01  0.109553D+00  0.502069D+01
               256           257           258           259           260 
      1   0.164695D+02  0.328363D+02 -0.565951D+01  0.185624D+02 -0.580607D+01
      2   0.306437D+01 -0.255998D+02  0.111201D+02 -0.527923D+01  0.152946D+02
      3  -0.195338D+02 -0.723643D+01 -0.546055D+01 -0.132832D+02 -0.948852D+01
      4   0.394525D+02 -0.173678D+01  0.170250D+02  0.110057D+02  0.231477D+02
      5   0.438507D+01  0.190653D+02 -0.481914D+01  0.112549D+02 -0.863129D+01
      6   0.415590D+01  0.140064D+02 -0.184797D+01  0.488982D+01 -0.394948D+01
               261           262           263           264           265 
      1   0.171028D+02  0.507758D+01 -0.772186D+01  0.396198D+00 -0.467581D+01
      2  -0.639328D+01  0.417933D+01 -0.429034D+01  0.329609D+00 -0.895759D+01
      3  -0.107096D+02 -0.925691D+01  0.120122D+02 -0.725807D+00  0.136334D+02
      4  -0.391071D+01 -0.155968D+02  0.228382D+02 -0.960486D+00  0.268481D+02
      5  -0.295056D+02 -0.867341D+00  0.148782D+00  0.284629D+01  0.142907D-01
      6  -0.142291D+02 -0.270301D+00  0.241417D+00 -0.881397D+00  0.531283D+00
               266           267           268           269           270 
      1  -0.122757D+02 -0.243248D+00  0.202459D+01  0.318591D+01 -0.166591D+01
      2   0.439505D+02 -0.196020D+01  0.424672D+01 -0.166260D+02  0.446841D+01
      3  -0.316749D+02  0.220345D+01 -0.627131D+01  0.134401D+02 -0.280251D+01
      4  -0.671326D+02  0.188010D+01 -0.121143D+02  0.284660D+02 -0.761547D+01
      5  -0.262350D+00 -0.897900D+01  0.339472D+01 -0.679381D+01  0.238831D+01
      6  -0.851140D+00  0.625886D+01 -0.297688D+01  0.849704D+01 -0.283149D+01
               271           272           273           274           275 
      1   0.581896D+01  0.306846D+01  0.532837D+01 -0.189987D+01 -0.690486D+01
      2  -0.527276D+01 -0.345190D+01 -0.204372D+01  0.152799D+00  0.556878D+01
      3  -0.546202D+00  0.383439D+00 -0.328465D+01  0.174707D+01  0.133608D+01
      4   0.848042D+00 -0.336435D+01  0.757210D+00 -0.111008D+01  0.228115D+01
      5   0.302982D+01 -0.522156D+00 -0.377026D+00  0.593655D+00  0.334739D+01
      6   0.140916D+01 -0.115278D+01 -0.155225D+01  0.108677D+00  0.230487D+01
               276           277           278           279           280 
      1  -0.221488D+01  0.135672D+02 -0.307168D+01 -0.125225D+02  0.130176D+03
      2   0.137505D+01 -0.636001D+01  0.398980D+01 -0.306154D+01 -0.613252D+02
      3   0.839827D+00 -0.720722D+01 -0.918114D+00  0.155841D+02 -0.688511D+02
      4   0.326865D+01  0.103987D+02  0.142084D+02  0.900205D+01  0.498591D+02
      5   0.535492D+01  0.800891D+01  0.103145D+02  0.413168D+02 -0.487879D+01
      6   0.638088D+01  0.230049D+01  0.962170D+01  0.228895D+02 -0.226829D+01
               281           282           283           284           285 
      1   0.129195D+02 -0.510068D+01 -0.721108D+01  0.625519D+01  0.790485D+00
      2  -0.115212D+01  0.276818D+01  0.632720D+01 -0.684221D+00 -0.154202D+01
      3  -0.117674D+02  0.233251D+01  0.883877D+00 -0.557097D+01  0.751539D+00
      4   0.222189D+02 -0.962343D+00  0.106716D+02  0.397615D+01 -0.208855D+01
      5  -0.164898D+00  0.137135D+02 -0.403023D-01 -0.237644D+01 -0.556140D-01
      6   0.235287D+00  0.415144D+01 -0.129814D+00 -0.102868D+01  0.849132D+00
               286           287           288           289           290 
      1  -0.130405D+02 -0.701998D+00  0.867602D+01  0.900053D+00  0.132077D+02
      2   0.642051D+01 -0.151834D+01 -0.550460D+01  0.148834D+01 -0.144171D+02
      3   0.661999D+01  0.222034D+01 -0.317142D+01 -0.238839D+01  0.120942D+01
      4  -0.622077D+01 -0.511974D+01  0.448300D+01  0.263916D+01 -0.881164D+01
      5   0.148772D+02  0.285065D+01 -0.723346D+00 -0.290129D+01  0.164438D+01
      6   0.378515D+01  0.214812D+01  0.525709D+00 -0.219731D+01  0.210484D+01
               291           292           293           294           295 
      1  -0.468775D+01  0.101832D+02 -0.295693D+02  0.656869D+01 -0.840021D+01
      2   0.360843D+01 -0.465586D+01  0.472600D+02 -0.949568D+01  0.292204D+01
      3   0.107932D+01 -0.552730D+01 -0.176906D+02  0.292700D+01  0.547817D+01
      4  -0.206615D+00  0.886634D+01  0.446124D+02 -0.102319D+02 -0.687885D+01
      5  -0.291404D+01 -0.653192D+00 -0.125473D+02  0.971886D+01  0.161358D+01
      6  -0.310032D+01 -0.452502D+00 -0.102713D+02  0.917051D+01  0.268122D+00
               296           297 
      1   0.908428D+01 -0.810082D+01
      2  -0.143808D+02  0.693267D+01
      3   0.529654D+01  0.116815D+01
      4  -0.200992D+02  0.850447D+01
      5   0.104241D+02 -0.547654D+01
      6   0.103765D+02 -0.608683D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 22:16:41 2021, MaxMem=  6442450944 cpu:           95427.8 elap:           11947.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94232 -18.88761 -10.14071 -10.03570 -10.02746
 Alpha  occ. eigenvalues --  -10.02136 -10.01521 -10.01480 -10.01308 -10.01239
 Alpha  occ. eigenvalues --  -10.01235 -10.00680 -10.00389  -9.99535  -9.99126
 Alpha  occ. eigenvalues --   -1.16177  -1.07263  -0.93281  -0.88883  -0.86417
 Alpha  occ. eigenvalues --   -0.81417  -0.81108  -0.75303  -0.74968  -0.73898
 Alpha  occ. eigenvalues --   -0.68501  -0.67359  -0.64260  -0.63109  -0.58816
 Alpha  occ. eigenvalues --   -0.58168  -0.55723  -0.54465  -0.53973  -0.52140
 Alpha  occ. eigenvalues --   -0.51821  -0.51639  -0.49944  -0.48979  -0.48531
 Alpha  occ. eigenvalues --   -0.48394  -0.46197  -0.45377  -0.44741  -0.44278
 Alpha  occ. eigenvalues --   -0.43875  -0.42787  -0.41473  -0.40675  -0.40329
 Alpha  occ. eigenvalues --   -0.40178  -0.39364  -0.38911  -0.35367  -0.33618
 Alpha  occ. eigenvalues --   -0.31714
 Alpha virt. eigenvalues --    0.02663   0.02839   0.03289   0.03766   0.03912
 Alpha virt. eigenvalues --    0.04034   0.04574   0.04639   0.05084   0.05753
 Alpha virt. eigenvalues --    0.06243   0.06443   0.06807   0.07000   0.07222
 Alpha virt. eigenvalues --    0.07480   0.08715   0.08810   0.08979   0.09390
 Alpha virt. eigenvalues --    0.10259   0.10981   0.11494   0.11831   0.11934
 Alpha virt. eigenvalues --    0.12357   0.12848   0.12984   0.13237   0.13375
 Alpha virt. eigenvalues --    0.13840   0.14047   0.14394   0.14938   0.15229
 Alpha virt. eigenvalues --    0.15427   0.15563   0.15691   0.16218   0.16640
 Alpha virt. eigenvalues --    0.17001   0.17277   0.17492   0.17645   0.18099
 Alpha virt. eigenvalues --    0.18507   0.19183   0.19416   0.19521   0.19778
 Alpha virt. eigenvalues --    0.20041   0.20355   0.21007   0.21227   0.21460
 Alpha virt. eigenvalues --    0.22213   0.22322   0.22635   0.23049   0.23627
 Alpha virt. eigenvalues --    0.23800   0.24017   0.24891   0.25129   0.25586
 Alpha virt. eigenvalues --    0.25839   0.26067   0.26716   0.27293   0.27385
 Alpha virt. eigenvalues --    0.27848   0.27942   0.28337   0.28559   0.28838
 Alpha virt. eigenvalues --    0.29036   0.29334   0.29528   0.29621   0.29907
 Alpha virt. eigenvalues --    0.30225   0.31101   0.31623   0.31655   0.32405
 Alpha virt. eigenvalues --    0.32637   0.32776   0.33711   0.33763   0.34200
 Alpha virt. eigenvalues --    0.34327   0.34862   0.35083   0.35792   0.36090
 Alpha virt. eigenvalues --    0.36304   0.36550   0.37623   0.38253   0.38632
 Alpha virt. eigenvalues --    0.39390   0.39726   0.39920   0.40288   0.40594
 Alpha virt. eigenvalues --    0.40810   0.41046   0.41304   0.41740   0.42315
 Alpha virt. eigenvalues --    0.42530   0.43002   0.43317   0.43567   0.43917
 Alpha virt. eigenvalues --    0.43993   0.44555   0.45412   0.45616   0.46104
 Alpha virt. eigenvalues --    0.46466   0.46635   0.47433   0.47512   0.48485
 Alpha virt. eigenvalues --    0.48958   0.49295   0.49719   0.50147   0.50432
 Alpha virt. eigenvalues --    0.51028   0.51346   0.51879   0.52050   0.52820
 Alpha virt. eigenvalues --    0.53198   0.53487   0.53958   0.54437   0.54930
 Alpha virt. eigenvalues --    0.55698   0.55810   0.56712   0.56999   0.57220
 Alpha virt. eigenvalues --    0.58143   0.58498   0.59144   0.59462   0.59701
 Alpha virt. eigenvalues --    0.59831   0.60402   0.60851   0.61337   0.61400
 Alpha virt. eigenvalues --    0.62187   0.62716   0.62965   0.63410   0.63583
 Alpha virt. eigenvalues --    0.64170   0.64635   0.64962   0.65414   0.65456
 Alpha virt. eigenvalues --    0.65648   0.66674   0.66989   0.67346   0.67703
 Alpha virt. eigenvalues --    0.67964   0.68636   0.69051   0.69236   0.70191
 Alpha virt. eigenvalues --    0.70602   0.70893   0.71286   0.71443   0.72272
 Alpha virt. eigenvalues --    0.72839   0.73134   0.73227   0.73277   0.74060
 Alpha virt. eigenvalues --    0.74512   0.75779   0.75898   0.76112   0.76205
 Alpha virt. eigenvalues --    0.76867   0.77303   0.77434   0.78206   0.78667
 Alpha virt. eigenvalues --    0.79188   0.79621   0.80480   0.80528   0.81287
 Alpha virt. eigenvalues --    0.82326   0.82437   0.82908   0.83132   0.83587
 Alpha virt. eigenvalues --    0.84298   0.84735   0.85554   0.85831   0.86161
 Alpha virt. eigenvalues --    0.86699   0.87385   0.87541   0.88316   0.88914
 Alpha virt. eigenvalues --    0.89365   0.89863   0.90502   0.90575   0.91654
 Alpha virt. eigenvalues --    0.92890   0.93658   0.93879   0.94043   0.94839
 Alpha virt. eigenvalues --    0.95353   0.95671   0.96356   0.97194   0.99037
 Alpha virt. eigenvalues --    0.99694   1.00328   1.01001   1.01413   1.02127
 Alpha virt. eigenvalues --    1.03873   1.04872   1.05039   1.06129   1.06549
 Alpha virt. eigenvalues --    1.07476   1.08385   1.09217   1.10131   1.10704
 Alpha virt. eigenvalues --    1.12032   1.12808   1.14039   1.15016   1.15454
 Alpha virt. eigenvalues --    1.15988   1.17042   1.17432   1.18825   1.19562
 Alpha virt. eigenvalues --    1.20264   1.21249   1.22609   1.22856   1.23809
 Alpha virt. eigenvalues --    1.24382   1.25150   1.26762   1.27058   1.29051
 Alpha virt. eigenvalues --    1.29219   1.31266   1.31774   1.33606   1.35381
 Alpha virt. eigenvalues --    1.37860   1.38177   1.38634   1.39599   1.41703
 Alpha virt. eigenvalues --    1.42065   1.43589   1.43905   1.44296   1.45481
 Alpha virt. eigenvalues --    1.46422   1.47045   1.49445   1.50435   1.51482
 Alpha virt. eigenvalues --    1.52436   1.53171   1.53797   1.53897   1.54286
 Alpha virt. eigenvalues --    1.55092   1.55570   1.56620   1.57171   1.59043
 Alpha virt. eigenvalues --    1.59691   1.60297   1.61459   1.62269   1.62742
 Alpha virt. eigenvalues --    1.63029   1.64400   1.65521   1.65947   1.67007
 Alpha virt. eigenvalues --    1.67985   1.69327   1.69741   1.70974   1.71411
 Alpha virt. eigenvalues --    1.72336   1.73400   1.74382   1.74754   1.75311
 Alpha virt. eigenvalues --    1.76257   1.76419   1.77389   1.78029   1.78337
 Alpha virt. eigenvalues --    1.78800   1.80497   1.81268   1.81704   1.82952
 Alpha virt. eigenvalues --    1.83581   1.84232   1.85753   1.87030   1.87216
 Alpha virt. eigenvalues --    1.88076   1.88861   1.90007   1.90705   1.91805
 Alpha virt. eigenvalues --    1.92605   1.93310   1.94019   1.94543   1.95055
 Alpha virt. eigenvalues --    1.95891   1.97092   1.97658   1.98099   1.98768
 Alpha virt. eigenvalues --    2.00280   2.01090   2.01438   2.02169   2.03455
 Alpha virt. eigenvalues --    2.04175   2.04451   2.05317   2.06409   2.08263
 Alpha virt. eigenvalues --    2.08694   2.09954   2.10064   2.11622   2.12096
 Alpha virt. eigenvalues --    2.13260   2.14140   2.15350   2.15885   2.16617
 Alpha virt. eigenvalues --    2.17482   2.18109   2.19463   2.19990   2.21653
 Alpha virt. eigenvalues --    2.21934   2.22211   2.23743   2.25495   2.26735
 Alpha virt. eigenvalues --    2.27318   2.28270   2.29137   2.29755   2.31333
 Alpha virt. eigenvalues --    2.32829   2.32911   2.34430   2.35712   2.36193
 Alpha virt. eigenvalues --    2.36840   2.38278   2.38676   2.41260   2.42422
 Alpha virt. eigenvalues --    2.42950   2.43932   2.45831   2.46986   2.50970
 Alpha virt. eigenvalues --    2.51672   2.52351   2.52640   2.53546   2.55973
 Alpha virt. eigenvalues --    2.57389   2.58661   2.59804   2.60591   2.62635
 Alpha virt. eigenvalues --    2.64227   2.64939   2.65716   2.67042   2.69311
 Alpha virt. eigenvalues --    2.72063   2.74191   2.75273   2.76291   2.78178
 Alpha virt. eigenvalues --    2.80330   2.80629   2.83335   2.85426   2.86534
 Alpha virt. eigenvalues --    2.87778   2.90940   2.92277   2.94223   2.95268
 Alpha virt. eigenvalues --    2.99939   3.07000   3.11777   3.12760   3.13463
 Alpha virt. eigenvalues --    3.17157   3.23822   3.31019   3.36860   3.38590
 Alpha virt. eigenvalues --    3.40275   3.45552   3.46260   3.47575   3.49375
 Alpha virt. eigenvalues --    3.53185   3.55563   3.64194   3.66558   3.74032
 Alpha virt. eigenvalues --    3.77758   3.86217   3.93410   4.04436   4.83544
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   25.737064  -3.149861  -2.090406  -3.479971  -2.166532  -8.211923
     2  C   -3.149861  27.464052  -3.187125  -6.604626   1.174858  -9.908842
     3  C   -2.090406  -3.187125  27.238459  -4.277716  -8.820131  -1.966820
     4  C   -3.479971  -6.604626  -4.277716  30.417510  -8.285580   0.955171
     5  C   -2.166532   1.174858  -8.820131  -8.285580  36.849050  -7.835199
     6  C   -8.211923  -9.908842  -1.966820   0.955171  -7.835199  37.342518
     7  C    0.138323  -2.060029  -0.889847  -0.500516  -0.365835  -1.045712
     8  C   -0.213692   0.204023   0.021192  -0.282368  -0.122733  -0.447805
     9  C    0.042944   0.026950   0.042776   0.021520   0.004832  -0.151260
    10  C    0.277608  -0.125266   0.127640  -0.047823   0.087614  -0.553682
    11  C   -0.147645  -0.281894   0.621734  -5.619183  -0.805740   0.220795
    12  C   -0.219831   0.005059  -0.191025   0.832714  -1.102137   0.018303
    13  O    0.014641  -0.004480   0.010716  -0.090151   0.158904  -0.061339
    14  O    0.039395   0.007053   0.012528  -0.016312   0.082905  -0.041494
    15  H   -2.535053   0.615668   0.825634   0.340229  -0.328947   0.286283
    16  H    1.043109   0.233223  -2.672936   0.405968   0.277000  -0.341970
    17  H   -0.086883  -1.149099   0.697082   2.162272  -4.729404   1.342909
    18  H    0.777295   2.564640  -0.025228  -1.373301   1.226367  -4.296902
    19  H   -0.423797  -0.424422  -0.233647   0.184035   0.267769   0.889963
    20  H    0.781006  -0.573886   0.445456  -0.000660  -0.086027  -0.880393
    21  H   -0.019953  -0.142653  -0.015496   0.122264   0.044935   0.334926
    22  H    0.075483   0.229162   0.020334  -0.001839   0.002981  -0.145999
    23  H   -0.055281   0.144074  -0.003176   0.012679  -0.007095   0.085914
    24  H   -0.008206  -0.153114  -0.004915  -0.007285   0.001439  -0.007718
    25  H    0.178554  -0.107459   0.086257   0.001071   0.015221  -0.097740
    26  H   -0.017046   0.027492  -0.183413   0.068466   0.012575   0.152519
    27  H   -0.018838   0.050320   0.035506  -0.007073   0.001120  -0.053814
    28  H   -0.076754   0.010049  -0.120830   0.813376  -0.099743  -0.059368
    29  C   -0.043125  -0.148041   0.305149  -0.638716  -0.535022   0.003179
    30  H   -0.005577  -0.000695  -0.005541   0.032693  -0.026483   0.006111
    31  H    0.013475  -0.060457   0.151401  -0.028712  -0.326710  -0.034085
    32  H   -0.030930   0.056753  -0.280783   0.979336   0.149832  -0.006204
    33  H    0.048803  -0.051643   0.189205  -0.763217   0.074389  -0.024800
               7          8          9         10         11         12
     1  C    0.138323  -0.213692   0.042944   0.277608  -0.147645  -0.219831
     2  C   -2.060029   0.204023   0.026950  -0.125266  -0.281894   0.005059
     3  C   -0.889847   0.021192   0.042776   0.127640   0.621734  -0.191025
     4  C   -0.500516  -0.282368   0.021520  -0.047823  -5.619183   0.832714
     5  C   -0.365835  -0.122733   0.004832   0.087614  -0.805740  -1.102137
     6  C   -1.045712  -0.447805  -0.151260  -0.553682   0.220795   0.018303
     7  C   12.166029  -0.561721   0.082284   0.268506  -0.406044  -0.010945
     8  C   -0.561721   9.671242  -0.188511  -0.413109   0.033254  -0.010794
     9  C    0.082284  -0.188511   5.140624  -0.280350  -0.003275   0.001279
    10  C    0.268506  -0.413109  -0.280350   4.895227  -0.030451   0.003446
    11  C   -0.406044   0.033254  -0.003275  -0.030451  15.825272  -2.695962
    12  C   -0.010945  -0.010794   0.001279   0.003446  -2.695962   8.763838
    13  O   -0.001725   0.000519   0.000020  -0.000121   0.170352  -0.189272
    14  O    0.000008   0.002201   0.000087  -0.000681   0.133636  -0.380816
    15  H   -0.508003  -0.023383   0.029643  -0.036944   0.162541   0.012712
    16  H    0.156645   0.007764  -0.001116   0.001671  -0.116423  -0.059212
    17  H    0.117141  -0.008784  -0.001839  -0.000487  -0.093290   0.203612
    18  H   -0.262877   0.046382   0.039230   0.016946  -0.015965   0.003385
    19  H   -0.761106   0.007345  -0.052693   0.013321   0.000094   0.000398
    20  H   -0.501683   0.136431  -0.135394   0.035850  -0.017587  -0.002056
    21  H   -0.165020  -1.647821  -0.116465   0.181403   0.006560   0.000443
    22  H   -0.220667   0.228265   0.125860  -0.031447   0.000477   0.000064
    23  H   -0.099352  -0.249831   0.418247  -0.114813   0.001274   0.000218
    24  H    0.118471   0.258884   0.040024   0.053216  -0.001034  -0.000110
    25  H   -0.266872   0.033007  -0.099989   0.227802  -0.001214   0.000307
    26  H   -0.155110   0.342196  -0.098383   0.113541  -0.003422  -0.001803
    27  H    0.086252  -0.134713   0.079153   0.138755  -0.000343   0.001179
    28  H   -0.006361   0.002688  -0.000011  -0.000546  -1.647351   0.196855
    29  C   -0.069416  -0.004382  -0.000164  -0.000593   0.532710   0.093508
    30  H   -0.000154   0.000050   0.000034  -0.000173   0.023646  -0.055844
    31  H   -0.009061   0.000593  -0.000059  -0.000700  -0.292939   0.071416
    32  H    0.002712  -0.000691  -0.000045   0.000251  -0.576215   0.000422
    33  H   -0.016956   0.000158   0.000076  -0.000269   0.708326  -0.114915
              13         14         15         16         17         18
     1  C    0.014641   0.039395  -2.535053   1.043109  -0.086883   0.777295
     2  C   -0.004480   0.007053   0.615668   0.233223  -1.149099   2.564640
     3  C    0.010716   0.012528   0.825634  -2.672936   0.697082  -0.025228
     4  C   -0.090151  -0.016312   0.340229   0.405968   2.162272  -1.373301
     5  C    0.158904   0.082905  -0.328947   0.277000  -4.729404   1.226367
     6  C   -0.061339  -0.041494   0.286283  -0.341970   1.342909  -4.296902
     7  C   -0.001725   0.000008  -0.508003   0.156645   0.117141  -0.262877
     8  C    0.000519   0.002201  -0.023383   0.007764  -0.008784   0.046382
     9  C    0.000020   0.000087   0.029643  -0.001116  -0.001839   0.039230
    10  C   -0.000121  -0.000681  -0.036944   0.001671  -0.000487   0.016946
    11  C    0.170352   0.133636   0.162541  -0.116423  -0.093290  -0.015965
    12  C   -0.189272  -0.380816   0.012712  -0.059212   0.203612   0.003385
    13  O    8.501170   0.015113  -0.000341   0.004827  -0.044301  -0.001604
    14  O    0.015113   8.386328  -0.000093   0.015556  -0.016867  -0.000627
    15  H   -0.000341  -0.000093   3.739715  -0.448219  -0.004455  -0.007249
    16  H    0.004827   0.015556  -0.448219   3.682154  -0.021319  -0.007855
    17  H   -0.044301  -0.016867  -0.004455  -0.021319   4.255662  -0.443042
    18  H   -0.001604  -0.000627  -0.007249  -0.007855  -0.443042   3.996978
    19  H   -0.000141   0.000005   0.032068  -0.004075   0.008137  -0.069917
    20  H    0.000068  -0.000067  -0.168550   0.026086   0.001252  -0.002587
    21  H    0.000027   0.000065  -0.003736   0.002396   0.004032  -0.074533
    22  H    0.000005   0.000013   0.001418  -0.000051   0.000019   0.016114
    23  H   -0.000003   0.000008   0.015329  -0.000909  -0.000543   0.005179
    24  H    0.000004   0.000003  -0.004213   0.000262   0.000099  -0.004831
    25  H    0.000001  -0.000069  -0.025164   0.003457   0.001917  -0.012364
    26  H   -0.000032  -0.000560   0.002627  -0.005204  -0.005138   0.021135
    27  H   -0.000043  -0.000053   0.009264  -0.001795  -0.000963   0.005056
    28  H   -0.003041  -0.044201   0.009338  -0.209188  -0.019920   0.003946
    29  C   -0.009412  -0.006252   0.009573   0.008101   0.008668  -0.000076
    30  H   -0.040779   0.258842   0.000080  -0.000740   0.002652  -0.000003
    31  H    0.009073  -0.011977  -0.001348   0.010831  -0.080937   0.000441
    32  H    0.002345   0.003502   0.000384   0.001163   0.010127  -0.001116
    33  H    0.018858   0.007228   0.003451  -0.010636   0.012751  -0.002295
              19         20         21         22         23         24
     1  C   -0.423797   0.781006  -0.019953   0.075483  -0.055281  -0.008206
     2  C   -0.424422  -0.573886  -0.142653   0.229162   0.144074  -0.153114
     3  C   -0.233647   0.445456  -0.015496   0.020334  -0.003176  -0.004915
     4  C    0.184035  -0.000660   0.122264  -0.001839   0.012679  -0.007285
     5  C    0.267769  -0.086027   0.044935   0.002981  -0.007095   0.001439
     6  C    0.889963  -0.880393   0.334926  -0.145999   0.085914  -0.007718
     7  C   -0.761106  -0.501683  -0.165020  -0.220667  -0.099352   0.118471
     8  C    0.007345   0.136431  -1.647821   0.228265  -0.249831   0.258884
     9  C   -0.052693  -0.135394  -0.116465   0.125860   0.418247   0.040024
    10  C    0.013321   0.035850   0.181403  -0.031447  -0.114813   0.053216
    11  C    0.000094  -0.017587   0.006560   0.000477   0.001274  -0.001034
    12  C    0.000398  -0.002056   0.000443   0.000064   0.000218  -0.000110
    13  O   -0.000141   0.000068   0.000027   0.000005  -0.000003   0.000004
    14  O    0.000005  -0.000067   0.000065   0.000013   0.000008   0.000003
    15  H    0.032068  -0.168550  -0.003736   0.001418   0.015329  -0.004213
    16  H   -0.004075   0.026086   0.002396  -0.000051  -0.000909   0.000262
    17  H    0.008137   0.001252   0.004032   0.000019  -0.000543   0.000099
    18  H   -0.069917  -0.002587  -0.074533   0.016114   0.005179  -0.004831
    19  H    2.576884  -0.433746   0.017042  -0.075823  -0.013683   0.030780
    20  H   -0.433746   2.843424   0.106554   0.010357  -0.065621   0.017898
    21  H    0.017042   0.106554   3.103719  -0.100680   0.129012  -0.108803
    22  H   -0.075823   0.010357  -0.100680   1.820040  -0.292982  -0.464776
    23  H   -0.013683  -0.065621   0.129012  -0.292982   1.667654  -0.426772
    24  H    0.030780   0.017898  -0.108803  -0.464776  -0.426772   1.906456
    25  H    0.010870   0.037981   0.140582  -0.000797   0.003841  -0.026101
    26  H    0.030792  -0.020910  -0.087916  -0.021009   0.002309   0.023127
    27  H   -0.011610   0.006939  -0.060158   0.032042  -0.017619  -0.027454
    28  H    0.000135  -0.002054  -0.000598   0.000048   0.000035  -0.000036
    29  C   -0.001867  -0.001875   0.001697   0.000040   0.000109  -0.000086
    30  H   -0.000005  -0.000006   0.000069  -0.000001   0.000009  -0.000003
    31  H   -0.000462  -0.000057   0.000499  -0.000038   0.000014  -0.000002
    32  H    0.000283   0.000132  -0.000012   0.000002  -0.000001  -0.000006
    33  H   -0.000691  -0.000605   0.000278   0.000034   0.000040  -0.000018
              25         26         27         28         29         30
     1  C    0.178554  -0.017046  -0.018838  -0.076754  -0.043125  -0.005577
     2  C   -0.107459   0.027492   0.050320   0.010049  -0.148041  -0.000695
     3  C    0.086257  -0.183413   0.035506  -0.120830   0.305149  -0.005541
     4  C    0.001071   0.068466  -0.007073   0.813376  -0.638716   0.032693
     5  C    0.015221   0.012575   0.001120  -0.099743  -0.535022  -0.026483
     6  C   -0.097740   0.152519  -0.053814  -0.059368   0.003179   0.006111
     7  C   -0.266872  -0.155110   0.086252  -0.006361  -0.069416  -0.000154
     8  C    0.033007   0.342196  -0.134713   0.002688  -0.004382   0.000050
     9  C   -0.099989  -0.098383   0.079153  -0.000011  -0.000164   0.000034
    10  C    0.227802   0.113541   0.138755  -0.000546  -0.000593  -0.000173
    11  C   -0.001214  -0.003422  -0.000343  -1.647351   0.532710   0.023646
    12  C    0.000307  -0.001803   0.001179   0.196855   0.093508  -0.055844
    13  O    0.000001  -0.000032  -0.000043  -0.003041  -0.009412  -0.040779
    14  O   -0.000069  -0.000560  -0.000053  -0.044201  -0.006252   0.258842
    15  H   -0.025164   0.002627   0.009264   0.009338   0.009573   0.000080
    16  H    0.003457  -0.005204  -0.001795  -0.209188   0.008101  -0.000740
    17  H    0.001917  -0.005138  -0.000963  -0.019920   0.008668   0.002652
    18  H   -0.012364   0.021135   0.005056   0.003946  -0.000076  -0.000003
    19  H    0.010870   0.030792  -0.011610   0.000135  -0.001867  -0.000005
    20  H    0.037981  -0.020910   0.006939  -0.002054  -0.001875  -0.000006
    21  H    0.140582  -0.087916  -0.060158  -0.000598   0.001697   0.000069
    22  H   -0.000797  -0.021009   0.032042   0.000048   0.000040  -0.000001
    23  H    0.003841   0.002309  -0.017619   0.000035   0.000109   0.000009
    24  H   -0.026101   0.023127  -0.027454  -0.000036  -0.000086  -0.000003
    25  H    1.772485  -0.316161  -0.427103  -0.000518   0.000384   0.000024
    26  H   -0.316161   1.992228  -0.581790  -0.000119   0.000902  -0.000086
    27  H   -0.427103  -0.581790   2.165930   0.000367  -0.000167  -0.000056
    28  H   -0.000518  -0.000119   0.000367   2.699241   0.071907   0.008656
    29  C    0.000384   0.000902  -0.000167   0.071907   4.934228   0.011092
    30  H    0.000024  -0.000086  -0.000056   0.008656   0.011092   0.615312
    31  H   -0.000017   0.000039  -0.000048   0.081706   0.610134   0.003017
    32  H    0.000041   0.000224   0.000018   0.012164  -0.267392   0.000344
    33  H    0.000050  -0.000523  -0.000019  -0.016165   0.085631  -0.000640
              31         32         33
     1  C    0.013475  -0.030930   0.048803
     2  C   -0.060457   0.056753  -0.051643
     3  C    0.151401  -0.280783   0.189205
     4  C   -0.028712   0.979336  -0.763217
     5  C   -0.326710   0.149832   0.074389
     6  C   -0.034085  -0.006204  -0.024800
     7  C   -0.009061   0.002712  -0.016956
     8  C    0.000593  -0.000691   0.000158
     9  C   -0.000059  -0.000045   0.000076
    10  C   -0.000700   0.000251  -0.000269
    11  C   -0.292939  -0.576215   0.708326
    12  C    0.071416   0.000422  -0.114915
    13  O    0.009073   0.002345   0.018858
    14  O   -0.011977   0.003502   0.007228
    15  H   -0.001348   0.000384   0.003451
    16  H    0.010831   0.001163  -0.010636
    17  H   -0.080937   0.010127   0.012751
    18  H    0.000441  -0.001116  -0.002295
    19  H   -0.000462   0.000283  -0.000691
    20  H   -0.000057   0.000132  -0.000605
    21  H    0.000499  -0.000012   0.000278
    22  H   -0.000038   0.000002   0.000034
    23  H    0.000014  -0.000001   0.000040
    24  H   -0.000002  -0.000006  -0.000018
    25  H   -0.000017   0.000041   0.000050
    26  H    0.000039   0.000224  -0.000523
    27  H   -0.000048   0.000018  -0.000019
    28  H    0.081706   0.012164  -0.016165
    29  C    0.610134  -0.267392   0.085631
    30  H    0.003017   0.000344  -0.000640
    31  H    1.760492  -0.355440  -0.339402
    32  H   -0.355440   1.942473  -0.383186
    33  H   -0.339402  -0.383186   1.773756
 Mulliken charges:
               1
     1  C   -0.166396
     2  C    1.320217
     3  C    0.137964
     4  C    0.675743
     5  C    1.211527
     6  C    0.534476
     7  C    1.748640
     8  C   -0.685856
     9  C    1.033972
    10  C    1.194660
    11  C    0.315306
    12  C    0.825563
    13  O   -0.459858
    14  O   -0.444408
    15  H   -1.000262
    16  H   -0.978565
    17  H   -1.121061
    18  H   -1.120722
    19  H   -0.562234
    20  H   -0.555673
    21  H   -0.652660
    22  H   -0.206649
    23  H   -0.138265
    24  H   -0.205177
    25  H   -0.132283
    26  H   -0.291552
    27  H   -0.268244
    28  H   -0.603706
    29  C    1.049574
    30  H    0.174155
    31  H   -0.170680
    32  H   -0.260489
    33  H   -0.197053
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.166658
     2  C    1.320217
     3  C   -0.840601
     4  C    0.675743
     5  C    0.090466
     6  C   -0.586246
     7  C    0.630733
     8  C   -1.338516
     9  C    0.483880
    10  C    0.502580
    11  C   -0.288400
    12  C    0.825563
    13  O   -0.459858
    14  O   -0.270253
    29  C    0.421351
 Electronic spatial extent (au):  <R**2>=           4602.2738
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0155    Y=             -0.0095    Z=              1.2049  Tot=              1.5758
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.1214   YY=            -89.7848   ZZ=            -92.2898
   XY=             -0.2800   XZ=             -6.6267   YZ=             -0.1230
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0561   YY=              1.2806   ZZ=             -1.2244
   XY=             -0.2800   XZ=             -6.6267   YZ=             -0.1230
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.3679  YYY=             40.6062  ZZZ=              3.8680  XYY=            -27.1735
  XXY=              3.5360  XXZ=             24.7300  XZZ=              7.7935  YZZ=             -6.5667
  YYZ=             -2.5278  XYZ=             -4.7008
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5064.7404 YYYY=           -656.0123 ZZZZ=           -530.0455 XXXY=            -35.4767
 XXXZ=            -96.7326 YYYX=           -110.4217 YYYZ=             -2.0996 ZZZX=            -12.1439
 ZZZY=              0.0015 XXYY=           -877.9457 XXZZ=           -971.4616 YYZZ=           -227.4270
 XXYZ=             10.6838 YYXZ=             -5.7446 ZZXY=              3.3376
 N-N= 9.729962246704D+02 E-N=-3.471857381238D+03  KE= 6.517134212231D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 22:16:42 2021, MaxMem=  6442450944 cpu:               4.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2700   -0.2711       -0.4374   -0.4371
 2      0.2700    0.2711       -0.1065   -0.1050      -43.7338  -43.7338
 3      0.4374    0.4371       34.6825   34.6822        0.1048    0.1050
 4      0.1065    0.1050        0.0000    0.0000        0.4373    0.4371
 5      9.0513    9.0516       -0.4373   -0.4371       -0.2705   -0.2711
 6     -0.1048   -0.1050        0.2705    0.2711        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8132    0.8132       -1.3113   -1.3113
 2      0.3151    0.3151       -0.0000    0.0000       -1.3113   -1.3113
 3      0.3151    0.3151        0.8132    0.8132       -0.0000    0.0000
 4      0.8132    0.8132       -0.3151   -0.3151     -131.2013 -131.2013
 5      1.3113    1.3113      104.0466  104.0466        0.3151    0.3151
 6     27.1547   27.1547       -1.3113   -1.3113       -0.8132   -0.8132
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0774    0.0000        0.9616    1.0843        1.7095    1.7484
 2     -1.1351   -1.0843        0.4672    0.4201      174.9011  174.9351
 3     -1.8148   -1.7484     -138.8014 -138.7287       -0.4418   -0.4201
 4     -0.4305   -0.4201        0.0274    0.0000       -1.7623   -1.7484
 5    -36.1765  -36.2063        1.8225    1.7484        1.0750    1.0843
 6      0.4167    0.4201       -1.1123   -1.0843       -0.0023    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0814    0.0000      -81.5781  -81.5079       48.8426   48.8248
 2     81.5273   81.5079       12.5195   12.3862      -23.0328  -22.8593
 3    -48.6441  -48.8248       11.1544   11.1816      -12.3568  -12.3862
 4    -12.3419  -12.3862       -0.0422    0.0000      -48.8603  -48.8248
 5     11.8376   11.6777       48.8466   48.8248      -81.4036  -81.5079
 6     12.4100   12.3862       81.4149   81.5079       -0.0398    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -23.7645  -23.8324      -10.8031  -10.8201      -61.9932  -62.0274
 2    -37.2299  -37.3347      -71.2109  -71.2780      -61.9284  -62.0274
 3    -37.2128  -37.3347      -10.6462  -10.8201     -114.4671 -114.5618
 4     60.4690   60.4578       13.5191   13.5022      -13.0174  -13.0095
 5    -52.3265  -52.5344        9.9691    9.8922      -13.3884  -13.5022
 6      3.5384    3.1173       52.7665   52.5344      -60.3850  -60.4578
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2829                 1.0377                 1.6565
  Dep-P Fr= 1--      0.7328                 0.6982                 0.7495
  Dep-U Fr= 1--      0.8458                 0.8223                 0.8568
 Alpha2 Fr= 1--      0.0001                 0.0009                 0.0000
 Beta2  Fr= 1--      0.0399                 0.1422                 0.2365
 AlphaG Fr= 1--      0.0003                 0.0048                 0.0007
 Gamma2 Fr= 1--     -0.6418                -0.0213                 0.6586
 Delta2 Fr= 1--     -0.6449                 0.3639                 0.0677
 Raman1 Fr= 1--       1.131                  4.151                  6.626
 ROA1   Fr= 1--     -82.248                  9.599                 65.392
 CID1   Fr= 1--     -72.694                  2.313                  9.869
 Raman2 Fr= 1--       0.478                  1.707                  2.839
 ROA2   Fr= 1--     -10.244                 -3.423                 15.264
 CID2   Fr= 1--     -21.409                 -2.006                  5.377
 Raman3 Fr= 1--       0.957                  3.413                  5.677
 ROA3   Fr= 1--     -82.248                  9.599                 65.392
 CID3   Fr= 1--     -85.949                  2.812                 11.518
 RC180  Fr= 1--       0.692                  0.645                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.2898                 2.0320                 2.3946
  Dep-P Fr= 1--      0.7339                 0.7427                 0.7223
  Dep-U Fr= 1--      0.8465                 0.8524                 0.8387
 Alpha2 Fr= 1--      0.0009                 0.0003                 0.0011
 Beta2  Fr= 1--      0.4641                 0.2887                 0.3347
 AlphaG Fr= 1--      0.0001                 0.0002                -0.0028
 Gamma2 Fr= 1--      0.7448                -0.9561                 1.1953
 Delta2 Fr= 1--      0.9269                -0.6126                 0.6760
 Raman1 Fr= 1--      13.159                  8.128                  9.578
 ROA1   Fr= 1--     101.159               -111.394                136.380
 CID1   Fr= 1--       7.687                -13.705                 14.238
 Raman2 Fr= 1--       5.570                  3.464                  4.017
 ROA2   Fr= 1--      10.460                -18.046                 23.280
 CID2   Fr= 1--       1.878                 -5.210                  5.795
 Raman3 Fr= 1--      11.140                  6.928                  8.034
 ROA3   Fr= 1--     101.159               -111.394                136.380
 CID3   Fr= 1--       9.081                -16.078                 16.976
 RC180  Fr= 1--       0.693                  0.705                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.7616                 0.3113                 0.0680
  Dep-P Fr= 1--      0.1230                 0.1720                 0.6460
  Dep-U Fr= 1--      0.2191                 0.2935                 0.7850
 Alpha2 Fr= 1--      0.0126                 0.0045                 0.0001
 Beta2  Fr= 1--      0.0278                 0.0152                 0.0089
 AlphaG Fr= 1--      0.0012                -0.0059                -0.0006
 Gamma2 Fr= 1--      0.0321                -0.2770                 0.0850
 Delta2 Fr= 1--     -0.0590                -0.0031                 0.0562
 Raman1 Fr= 1--       3.046                  1.245                  0.272
 ROA1   Fr= 1--       1.190                -26.690                  9.955
 CID1   Fr= 1--       0.391                -21.436                 36.588
 Raman2 Fr= 1--       0.334                  0.183                  0.107
 ROA2   Fr= 1--       1.241                 -6.624                  1.590
 CID2   Fr= 1--       3.719                -36.252                 14.892
 Raman3 Fr= 1--       0.668                  0.365                  0.214
 ROA3   Fr= 1--       1.190                -26.690                  9.955
 CID3   Fr= 1--       1.783                -73.041                 46.612
 RC180  Fr= 1--      -0.562                 -0.413                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1601                 1.8873                 0.1418
  Dep-P Fr= 1--      0.6594                 0.5162                 0.5416
  Dep-U Fr= 1--      0.7947                 0.6810                 0.7027
 Alpha2 Fr= 1--      0.0003                 0.0086                 0.0006
 Beta2  Fr= 1--      0.0212                 0.2142                 0.0166
 AlphaG Fr= 1--     -0.0017                 0.0075                 0.0065
 Gamma2 Fr= 1--     -0.1631                 0.2433                -0.2829
 Delta2 Fr= 1--     -0.0632                -0.0259                 0.0125
 Raman1 Fr= 1--       0.641                  7.549                  0.567
 ROA1   Fr= 1--     -17.679                 22.528                -26.758
 CID1   Fr= 1--     -27.599                  2.984                -47.185
 Raman2 Fr= 1--       0.255                  2.570                  0.199
 ROA2   Fr= 1--      -3.409                  6.046                 -6.890
 CID2   Fr= 1--     -13.394                  2.352                -34.579
 Raman3 Fr= 1--       0.509                  5.141                  0.398
 ROA3   Fr= 1--     -17.679                 22.528                -26.758
 CID3   Fr= 1--     -34.728                  4.382                -67.150
 RC180  Fr= 1--       0.589                  0.362                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.7738                 0.3854                 2.2848
  Dep-P Fr= 1--      0.1152                 0.4932                 0.5727
  Dep-U Fr= 1--      0.2066                 0.6606                 0.7283
 Alpha2 Fr= 1--      0.0299                 0.0020                 0.0076
 Beta2  Fr= 1--      0.0611                 0.0424                 0.2773
 AlphaG Fr= 1--      0.0087                -0.0041                -0.0134
 Gamma2 Fr= 1--     -0.2211                -0.1365                 0.3057
 Delta2 Fr= 1--     -0.2644                -0.0884                -0.0046
 Raman1 Fr= 1--       7.095                  1.542                  9.139
 ROA1   Fr= 1--     -29.684                -15.931                 29.202
 CID1   Fr= 1--      -4.184                -10.333                  3.195
 Raman2 Fr= 1--       0.733                  0.509                  3.328
 ROA2   Fr= 1--      -3.190                 -2.568                  7.375
 CID2   Fr= 1--      -4.352                 -5.043                  2.216
 Raman3 Fr= 1--       1.466                  1.019                  6.656
 ROA3   Fr= 1--     -29.684                -15.931                 29.202
 CID3   Fr= 1--     -20.245                -15.641                  4.388
 RC180  Fr= 1--      -0.587                  0.321                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.4318                 3.7257                 0.6133
  Dep-P Fr= 1--      0.1138                 0.1250                 0.1224
  Dep-U Fr= 1--      0.2044                 0.2222                 0.2182
 Alpha2 Fr= 1--      0.0073                 0.0613                 0.0102
 Beta2  Fr= 1--      0.0147                 0.1380                 0.0223
 AlphaG Fr= 1--      0.0112                 0.0654                -0.0502
 Gamma2 Fr= 1--      0.2705                 1.2724                -0.4931
 Delta2 Fr= 1--      0.0257                -0.2213                -0.1367
 Raman1 Fr= 1--       1.727                 14.903                  2.453
 ROA1   Fr= 1--      26.787                115.073                -51.708
 CID1   Fr= 1--      15.510                  7.721                -21.079
 Raman2 Fr= 1--       0.177                  1.656                  0.268
 ROA2   Fr= 1--       6.286                 32.309                -10.740
 CID2   Fr= 1--      35.611                 19.516                -40.136
 Raman3 Fr= 1--       0.353                  3.311                  0.535
 ROA3   Fr= 1--      26.787                115.073                -51.708
 CID3   Fr= 1--      75.879                 34.754                -96.618
 RC180  Fr= 1--      -0.591                 -0.556                 -0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.9184                 1.8687                 1.1506
  Dep-P Fr= 1--      0.6834                 0.1347                 0.3268
  Dep-U Fr= 1--      0.8119                 0.2374                 0.4926
 Alpha2 Fr= 1--      0.0011                 0.0300                 0.0109
 Beta2  Fr= 1--      0.1243                 0.0739                 0.0945
 AlphaG Fr= 1--      0.0085                -0.0156                 0.0125
 Gamma2 Fr= 1--      0.3800                 0.2059                 0.5159
 Delta2 Fr= 1--      0.0375                 0.2415                 0.2883
 Raman1 Fr= 1--       3.674                  7.475                  4.602
 ROA1   Fr= 1--      37.679                 27.492                 58.757
 CID1   Fr= 1--      10.256                  3.678                 12.767
 Raman2 Fr= 1--       1.491                  0.887                  1.134
 ROA2   Fr= 1--       8.820                  3.009                 10.076
 CID2   Fr= 1--       5.914                  3.391                  8.888
 Raman3 Fr= 1--       2.983                  1.775                  2.267
 ROA3   Fr= 1--      37.679                 27.492                 58.757
 CID3   Fr= 1--      12.632                 15.492                 25.916
 RC180  Fr= 1--       0.624                 -0.525                 -0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.1845                 1.2002                 3.1397
  Dep-P Fr= 1--      0.2964                 0.6485                 0.5971
  Dep-U Fr= 1--      0.4573                 0.7868                 0.7477
 Alpha2 Fr= 1--      0.0019                 0.0022                 0.0089
 Beta2  Fr= 1--      0.0141                 0.1574                 0.3913
 AlphaG Fr= 1--     -0.0054                 0.0117                -0.0151
 Gamma2 Fr= 1--      0.0094                -1.5134                -0.3124
 Delta2 Fr= 1--     -0.1162                -0.2965                -0.2281
 Raman1 Fr= 1--       0.738                  4.801                 12.559
 ROA1   Fr= 1--      -2.811               -154.779                -37.288
 CID1   Fr= 1--      -3.810                -32.240                 -2.969
 Raman2 Fr= 1--       0.169                  1.889                  4.695
 ROA2   Fr= 1--       1.156                -33.950                 -5.673
 CID2   Fr= 1--       6.853                -17.976                 -1.208
 Raman3 Fr= 1--       0.337                  3.777                  9.390
 ROA3   Fr= 1--      -2.811               -154.779                -37.288
 CID3   Fr= 1--      -8.331                -40.977                 -3.971
 RC180  Fr= 1--      -0.085                  0.574                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.5592                 2.6920                 4.7501
  Dep-P Fr= 1--      0.5301                 0.0450                 0.0729
  Dep-U Fr= 1--      0.6929                 0.0862                 0.1359
 Alpha2 Fr= 1--      0.0194                 0.0538                 0.0888
 Beta2  Fr= 1--      0.5265                 0.0387                 0.1076
 AlphaG Fr= 1--     -0.0541                 0.0629                -0.0496
 Gamma2 Fr= 1--      0.3234                 0.7718                 0.5059
 Delta2 Fr= 1--     -0.0137                 0.2956                -0.0459
 Raman1 Fr= 1--      18.237                 10.768                 19.000
 ROA1   Fr= 1--      30.611                 83.554                 47.098
 CID1   Fr= 1--       1.679                  7.759                  2.479
 Raman2 Fr= 1--       6.318                  0.464                  1.291
 ROA2   Fr= 1--       7.873                 16.159                 12.510
 CID2   Fr= 1--       1.246                 34.824                  9.688
 Raman3 Fr= 1--      12.637                  0.928                  2.583
 ROA3   Fr= 1--      30.611                 83.554                 47.098
 CID3   Fr= 1--       2.422                 90.035                 18.237
 RC180  Fr= 1--       0.386                 -0.828                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     29.1464                 0.8120                 7.2305
  Dep-P Fr= 1--      0.0559                 0.1718                 0.0845
  Dep-U Fr= 1--      0.1058                 0.2933                 0.1558
 Alpha2 Fr= 1--      0.5677                 0.0119                 0.1315
 Beta2  Fr= 1--      0.5140                 0.0397                 0.1877
 AlphaG Fr= 1--     -0.1612                 0.0110                 0.0631
 Gamma2 Fr= 1--     -1.0140                 0.2146                -1.4923
 Delta2 Fr= 1--     -0.1073                 0.0427                -1.7676
 Raman1 Fr= 1--     116.585                  3.248                 28.922
 ROA1   Fr= 1--    -100.777                 21.967               -199.820
 CID1   Fr= 1--      -0.864                  6.763                 -6.909
 Raman2 Fr= 1--       6.167                  0.476                  2.252
 ROA2   Fr= 1--     -23.477                  4.808                -21.673
 CID2   Fr= 1--      -3.807                 10.096                 -9.622
 Raman3 Fr= 1--      12.335                  0.953                  4.505
 ROA3   Fr= 1--    -100.777                 21.967               -199.820
 CID3   Fr= 1--      -8.170                 23.061                -44.357
 RC180  Fr= 1--      -0.788                 -0.413                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      1.7144                11.8928                 5.6036
  Dep-P Fr= 1--      0.2340                 0.1856                 0.0899
  Dep-U Fr= 1--      0.3792                 0.3131                 0.1651
 Alpha2 Fr= 1--      0.0212                 0.1678                 0.1005
 Beta2  Fr= 1--      0.1084                 0.6206                 0.1541
 AlphaG Fr= 1--     -0.0393                -0.0953                -0.0898
 Gamma2 Fr= 1--      0.1295                 1.5624                 0.1689
 Delta2 Fr= 1--      0.0166                 0.2331                 0.6330
 Raman1 Fr= 1--       6.858                 47.571                 22.414
 ROA1   Fr= 1--      12.960                157.445                 36.475
 CID1   Fr= 1--       1.890                  3.310                  1.627
 Raman2 Fr= 1--       1.300                  7.447                  1.850
 ROA2   Fr= 1--       2.974                 35.632                 -1.009
 CID2   Fr= 1--       2.287                  4.785                 -0.545
 Raman3 Fr= 1--       2.601                 14.894                  3.700
 ROA3   Fr= 1--      12.960                157.445                 36.475
 CID3   Fr= 1--       4.983                 10.571                  9.859
 RC180  Fr= 1--      -0.242                 -0.374                 -0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.3265                 1.0661                 4.7020
  Dep-P Fr= 1--      0.7081                 0.4761                 0.7297
  Dep-U Fr= 1--      0.8291                 0.6451                 0.8437
 Alpha2 Fr= 1--      0.0017                 0.0059                 0.0016
 Beta2  Fr= 1--      0.3215                 0.1146                 0.6612
 AlphaG Fr= 1--      0.0065                 0.0273                -0.0032
 Gamma2 Fr= 1--     -0.7676                -0.2245                -2.1259
 Delta2 Fr= 1--      0.0224                -0.5908                -0.2919
 Raman1 Fr= 1--       9.306                  4.264                 18.808
 ROA1   Fr= 1--     -72.972                -40.462               -213.423
 CID1   Fr= 1--      -7.842                 -9.489                -11.347
 Raman2 Fr= 1--       3.858                  1.375                  7.934
 ROA2   Fr= 1--     -18.602                 -0.663                -48.686
 CID2   Fr= 1--      -4.822                 -0.482                 -6.136
 Raman3 Fr= 1--       7.716                  2.751                 15.869
 ROA3   Fr= 1--     -72.972                -40.462               -213.423
 CID3   Fr= 1--      -9.457                -14.709                -13.449
 RC180  Fr= 1--       0.658                  0.290                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      1.3771                 2.0204                 0.2837
  Dep-P Fr= 1--      0.5255                 0.6282                 0.7461
  Dep-U Fr= 1--      0.6889                 0.7716                 0.8546
 Alpha2 Fr= 1--      0.0060                 0.0045                 0.0000
 Beta2  Fr= 1--      0.1581                 0.2598                 0.0404
 AlphaG Fr= 1--      0.0710                 0.0014                -0.0005
 Gamma2 Fr= 1--      0.1714                -0.1912                -0.7161
 Delta2 Fr= 1--      0.0704                -0.1214                 0.3270
 Raman1 Fr= 1--       5.508                  8.082                  1.135
 ROA1   Fr= 1--      18.707                -22.245                -58.280
 CID1   Fr= 1--       3.396                 -2.753                -51.361
 Raman2 Fr= 1--       1.898                  3.118                  0.485
 ROA2   Fr= 1--       3.551                 -3.618                -19.802
 CID2   Fr= 1--       1.871                 -1.160                -40.843
 Raman3 Fr= 1--       3.795                  6.236                  0.970
 ROA3   Fr= 1--      18.707                -22.245                -58.280
 CID3   Fr= 1--       4.929                 -3.567                -60.103
 RC180  Fr= 1--       0.378                  0.543                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--      9.9472                 0.0985                 2.8358
  Dep-P Fr= 1--      0.2072                 0.7500                 0.5957
  Dep-U Fr= 1--      0.3432                 0.8571                 0.7466
 Alpha2 Fr= 1--      0.1325                 0.0000                 0.0081
 Beta2  Fr= 1--      0.5690                 0.0141                 0.3529
 AlphaG Fr= 1--      0.0216                 0.0000                 0.0183
 Gamma2 Fr= 1--      0.4169                -0.0621                -0.6412
 Delta2 Fr= 1--     -1.2782                 0.1321                 1.6228
 Raman1 Fr= 1--      39.789                  0.394                 11.343
 ROA1   Fr= 1--      -0.882                 -1.731                 -9.625
 CID1   Fr= 1--      -0.022                 -4.391                 -0.849
 Raman2 Fr= 1--       6.828                  0.169                  4.235
 ROA2   Fr= 1--      20.231                 -2.546                -28.372
 CID2   Fr= 1--       2.963                -15.076                 -6.700
 Raman3 Fr= 1--      13.656                  0.338                  8.469
 ROA3   Fr= 1--      -0.882                 -1.731                 -9.625
 CID3   Fr= 1--      -0.065                 -5.123                 -1.137
 RC180  Fr= 1--      -0.314                  0.714                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      2.5859                 4.9240                13.0401
  Dep-P Fr= 1--      0.3238                 0.3112                 0.4695
  Dep-U Fr= 1--      0.4892                 0.4747                 0.6390
 Alpha2 Fr= 1--      0.0247                 0.0488                 0.0738
 Beta2  Fr= 1--      0.2108                 0.3896                 1.3888
 AlphaG Fr= 1--     -0.0171                 0.0253                -0.1317
 Gamma2 Fr= 1--     -0.3013                -1.8520                 0.9071
 Delta2 Fr= 1--      0.7466                -0.8413                 0.1511
 Raman1 Fr= 1--      10.344                 19.696                 52.160
 ROA1   Fr= 1--      -5.029               -204.711                 91.913
 CID1   Fr= 1--      -0.486                -10.393                  1.762
 Raman2 Fr= 1--       2.530                  4.675                 16.665
 ROA2   Fr= 1--     -13.203                -37.717                 20.561
 CID2   Fr= 1--      -5.219                 -8.068                  1.234
 Raman3 Fr= 1--       5.060                  9.350                 33.330
 ROA3   Fr= 1--      -5.029               -204.711                 91.913
 CID3   Fr= 1--      -0.994                -21.895                  2.758
 RC180  Fr= 1--      -0.022                 -0.051                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      7.6369                 1.4639                 3.0115
  Dep-P Fr= 1--      0.1570                 0.6322                 0.4779
  Dep-U Fr= 1--      0.2713                 0.7747                 0.6467
 Alpha2 Fr= 1--      0.1160                 0.0031                 0.0164
 Beta2  Fr= 1--      0.3454                 0.1890                 0.3246
 AlphaG Fr= 1--      0.0096                -0.0122                -0.0223
 Gamma2 Fr= 1--      0.5773                -2.2248                 1.1665
 Delta2 Fr= 1--      0.7448                -0.8206                -0.5698
 Raman1 Fr= 1--      30.548                  5.856                 12.046
 ROA1   Fr= 1--      79.258               -239.834                 93.755
 CID1   Fr= 1--       2.595                -40.958                  7.783
 Raman2 Fr= 1--       4.144                  2.268                  3.895
 ROA2   Fr= 1--       7.897                -46.829                 32.555
 CID2   Fr= 1--       1.906                -20.647                  8.358
 Raman3 Fr= 1--       8.289                  4.536                  7.790
 ROA3   Fr= 1--      79.258               -239.834                 93.755
 CID3   Fr= 1--       9.562                -52.871                 12.035
 RC180  Fr= 1--      -0.457                  0.549                  0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     48.4646                46.0528                33.8471
  Dep-P Fr= 1--      0.1004                 0.1658                 0.1360
  Dep-U Fr= 1--      0.1824                 0.2845                 0.2394
 Alpha2 Fr= 1--      0.8477                 0.6837                 0.5421
 Beta2  Fr= 1--      1.4737                 2.1837                 1.3506
 AlphaG Fr= 1--     -0.3619                -0.1264                -0.1601
 Gamma2 Fr= 1--     -3.6704                -0.1537                -0.4647
 Delta2 Fr= 1--      1.1395                -0.4012                 0.3620
 Raman1 Fr= 1--     193.858                184.211                135.388
 ROA1   Fr= 1--    -315.895                -27.599                -33.028
 CID1   Fr= 1--      -1.630                 -0.150                 -0.244
 Raman2 Fr= 1--      17.684                 26.204                 16.207
 ROA2   Fr= 1--     -97.207                 -0.480                -14.049
 CID2   Fr= 1--      -5.497                 -0.018                 -0.867
 Raman3 Fr= 1--      35.369                 52.409                 32.413
 ROA3   Fr= 1--    -315.895                -27.599                -33.028
 CID3   Fr= 1--      -8.932                 -0.527                 -1.019
 RC180  Fr= 1--      -0.635                 -0.431                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      5.6893                 5.1530                 6.3609
  Dep-P Fr= 1--      0.5759                 0.4905                 0.5257
  Dep-U Fr= 1--      0.7309                 0.6582                 0.6892
 Alpha2 Fr= 1--      0.0186                 0.0266                 0.0277
 Beta2  Fr= 1--      0.6930                 0.5653                 0.7306
 AlphaG Fr= 1--      0.0207                -0.0133                -0.0475
 Gamma2 Fr= 1--      2.2897                 1.2980                -4.6123
 Delta2 Fr= 1--     -0.0385                 0.1193                -0.0043
 Raman1 Fr= 1--      22.757                 20.612                 25.444
 ROA1   Fr= 1--     218.578                128.424               -442.916
 CID1   Fr= 1--       9.605                  6.231                -17.408
 Raman2 Fr= 1--       8.316                  6.783                  8.767
 ROA2   Fr= 1--      55.261                 30.197               -110.661
 CID2   Fr= 1--       6.645                  4.452                -12.622
 Raman3 Fr= 1--      16.632                 13.566                 17.535
 ROA3   Fr= 1--     218.578                128.424               -442.916
 CID3   Fr= 1--      13.142                  9.467                -25.260
 RC180  Fr= 1--       0.462                  0.316                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     17.3353                 1.2688                14.6044
  Dep-P Fr= 1--      0.2855                 0.7398                 0.4369
  Dep-U Fr= 1--      0.4442                 0.8504                 0.6082
 Alpha2 Fr= 1--      0.1856                 0.0002                 0.0943
 Beta2  Fr= 1--      1.2834                 0.1798                 1.4803
 AlphaG Fr= 1--     -0.0307                 0.0142                -0.1304
 Gamma2 Fr= 1--      4.6180                -3.2111                 7.2333
 Delta2 Fr= 1--      0.4633                -0.8395                 4.1698
 Raman1 Fr= 1--      69.341                  5.075                 58.418
 ROA1   Fr= 1--     458.155               -335.131                827.828
 CID1   Fr= 1--       6.607                -66.036                 14.171
 Raman2 Fr= 1--      15.401                  2.158                 17.763
 ROA2   Fr= 1--     107.126                -70.351                140.241
 CID2   Fr= 1--       6.956                -32.601                  7.895
 Raman3 Fr= 1--      30.802                  4.316                 35.527
 ROA3   Fr= 1--     458.155               -335.131                827.828
 CID3   Fr= 1--      14.874                -77.651                 23.302
 RC180  Fr= 1--      -0.112                  0.701                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      4.1585                17.4393                 5.5973
  Dep-P Fr= 1--      0.1966                 0.4952                 0.7498
  Dep-U Fr= 1--      0.3286                 0.6624                 0.8570
 Alpha2 Fr= 1--      0.0570                 0.0881                 0.0000
 Beta2  Fr= 1--      0.2278                 1.9252                 0.7995
 AlphaG Fr= 1--     -0.2031                -0.1677                 0.0024
 Gamma2 Fr= 1--     -2.8046                -5.8021                 1.6445
 Delta2 Fr= 1--     -0.4499                 1.2125                -2.0138
 Raman1 Fr= 1--      16.634                 69.757                 22.389
 ROA1   Fr= 1--    -283.642               -518.199                 93.435
 CID1   Fr= 1--     -17.052                 -7.429                  4.173
 Raman2 Fr= 1--       2.733                 23.102                  9.594
 ROA2   Fr= 1--     -63.713               -148.949                 55.579
 CID2   Fr= 1--     -23.310                 -6.448                  5.793
 Raman3 Fr= 1--       5.467                 46.204                 19.187
 ROA3   Fr= 1--    -283.642               -518.199                 93.435
 CID3   Fr= 1--     -51.886                -11.216                  4.870
 RC180  Fr= 1--      -0.343                  0.325                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.1081                 1.1307                 1.3722
  Dep-P Fr= 1--      0.4128                 0.5782                 0.5117
  Dep-U Fr= 1--      0.5843                 0.7328                 0.6770
 Alpha2 Fr= 1--      0.0008                 0.0036                 0.0064
 Beta2  Fr= 1--      0.0105                 0.1381                 0.1548
 AlphaG Fr= 1--     -0.0034                 0.0028                -0.0105
 Gamma2 Fr= 1--      0.0402                 0.0005                -0.0944
 Delta2 Fr= 1--     -0.0202                 0.1081                 0.1056
 Raman1 Fr= 1--       0.432                  4.523                  5.489
 ROA1   Fr= 1--       3.210                  3.504                 -5.677
 CID1   Fr= 1--       7.426                  0.775                 -1.034
 Raman2 Fr= 1--       0.126                  1.657                  1.858
 ROA2   Fr= 1--       1.126                 -0.854                 -3.110
 CID2   Fr= 1--       8.916                 -0.515                 -1.674
 Raman3 Fr= 1--       0.253                  3.314                  3.716
 ROA3   Fr= 1--       3.210                  3.504                 -5.677
 CID3   Fr= 1--      12.708                  1.057                 -1.528
 RC180  Fr= 1--       0.169                  0.466                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.4150                 1.7285                 9.7741
  Dep-P Fr= 1--      0.4983                 0.6454                 0.7218
  Dep-U Fr= 1--      0.6652                 0.7845                 0.8384
 Alpha2 Fr= 1--      0.0021                 0.0033                 0.0047
 Beta2  Fr= 1--      0.0460                 0.2260                 1.3658
 AlphaG Fr= 1--      0.0162                -0.0387                 0.0073
 Gamma2 Fr= 1--      2.5120                -1.2820                -2.4867
 Delta2 Fr= 1--     -1.3791                 0.3513                 0.7698
 Raman1 Fr= 1--       1.660                  6.914                 39.097
 ROA1   Fr= 1--     197.019               -111.833               -214.093
 CID1   Fr= 1--     118.678                -16.175                 -5.476
 Raman2 Fr= 1--       0.552                  2.712                 16.390
 ROA2   Fr= 1--      71.320                -33.579                -65.840
 CID2   Fr= 1--     129.171                -12.382                 -4.017
 Raman3 Fr= 1--       1.104                  5.424                 32.779
 ROA3   Fr= 1--     197.019               -111.833               -214.093
 CID3   Fr= 1--     178.416                -20.618                 -6.531
 RC180  Fr= 1--       0.330                  0.569                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      5.0426                 4.0478                 4.5248
  Dep-P Fr= 1--      0.6019                 0.6879                 0.6527
  Dep-U Fr= 1--      0.7514                 0.8151                 0.7898
 Alpha2 Fr= 1--      0.0138                 0.0044                 0.0079
 Beta2  Fr= 1--      0.6315                 0.5499                 0.5956
 AlphaG Fr= 1--      0.0067                -0.0087                 0.0629
 Gamma2 Fr= 1--     -0.5849                -1.5095                 1.3697
 Delta2 Fr= 1--     -1.1162                 0.7092                 1.3761
 Raman1 Fr= 1--      20.171                 16.191                 18.099
 ROA1   Fr= 1--     -91.870               -122.212                175.522
 CID1   Fr= 1--      -4.555                 -7.548                  9.698
 Raman2 Fr= 1--       7.579                  6.599                  7.148
 ROA2   Fr= 1--      -5.108                -41.901                 21.863
 CID2   Fr= 1--      -0.674                 -6.350                  3.059
 Raman3 Fr= 1--      15.157                 13.197                 14.295
 ROA3   Fr= 1--     -91.870               -122.212                175.522
 CID3   Fr= 1--      -6.061                 -9.260                 12.278
 RC180  Fr= 1--       0.503                  0.630                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--      6.9427                 1.2512                 0.2837
  Dep-P Fr= 1--      0.7432                 0.5125                 0.5693
  Dep-U Fr= 1--      0.8527                 0.6777                 0.7256
 Alpha2 Fr= 1--      0.0008                 0.0058                 0.0010
 Beta2  Fr= 1--      0.9867                 0.1413                 0.0343
 AlphaG Fr= 1--     -0.0078                 0.0040                -0.0059
 Gamma2 Fr= 1--      0.9141                 1.5240                 0.0980
 Delta2 Fr= 1--     -0.1531                 0.3361                 0.2303
 Raman1 Fr= 1--      27.771                  5.005                  1.135
 ROA1   Fr= 1--      82.854                157.057                 16.776
 CID1   Fr= 1--       2.984                 31.381                 14.785
 Raman2 Fr= 1--      11.840                  1.696                  0.412
 ROA2   Fr= 1--      23.164                 33.887                  0.509
 CID2   Fr= 1--       1.956                 19.981                  1.236
 Raman3 Fr= 1--      23.680                  3.392                  0.823
 ROA3   Fr= 1--      82.854                157.057                 16.776
 CID3   Fr= 1--       3.499                 46.303                 20.378
 RC180  Fr= 1--       0.705                  0.355                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.1746               141.7117                17.1425
  Dep-P Fr= 1--      0.7271                 0.4741                 0.1679
  Dep-U Fr= 1--      0.8420                 0.6433                 0.2876
 Alpha2 Fr= 1--      0.0005                 0.7857                 0.2531
 Beta2  Fr= 1--      0.1648                15.1935                 0.8216
 AlphaG Fr= 1--     -0.0205                -0.8339                -0.5993
 Gamma2 Fr= 1--      0.0585                -8.1082                -2.0238
 Delta2 Fr= 1--     -0.0324                -0.3611                 0.9044
 Raman1 Fr= 1--       4.698                566.847                 68.570
 ROA1   Fr= 1--       4.578               -789.944               -165.339
 CID1   Fr= 1--       0.974                 -1.394                 -2.411
 Raman2 Fr= 1--       1.978                182.322                  9.860
 ROA2   Fr= 1--       1.662               -191.709                -55.806
 CID2   Fr= 1--       0.840                 -1.051                 -5.660
 Raman3 Fr= 1--       3.956                364.643                 19.719
 ROA3   Fr= 1--       4.578               -789.944               -165.339
 CID3   Fr= 1--       1.157                 -2.166                 -8.385
 RC180  Fr= 1--       0.684                  0.287                 -0.425
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    150.4066                14.0962                28.8479
  Dep-P Fr= 1--      0.1682                 0.6559                 0.3099
  Dep-U Fr= 1--      0.2879                 0.7922                 0.4732
 Alpha2 Fr= 1--      2.2197                 0.0237                 0.2872
 Beta2  Fr= 1--      7.2174                 1.8612                 2.2750
 AlphaG Fr= 1--     -1.1712                -0.1174                 0.2950
 Gamma2 Fr= 1--    -10.5092                 6.6149                -0.6313
 Delta2 Fr= 1--     -5.7155                 1.6513                 3.2939
 Raman1 Fr= 1--     601.626                 56.385                115.391
 ROA1   Fr= 1--   -1191.782                687.868                 44.806
 CID1   Fr= 1--      -1.981                 12.200                  0.388
 Raman2 Fr= 1--      86.609                 22.334                 27.300
 ROA2   Fr= 1--    -206.497                145.547                -41.501
 CID2   Fr= 1--      -2.384                  6.517                 -1.520
 Raman3 Fr= 1--     173.218                 44.668                 54.599
 ROA3   Fr= 1--   -1191.782                687.868                 44.806
 CID3   Fr= 1--      -6.880                 15.400                  0.821
 RC180  Fr= 1--      -0.424                  0.584                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    454.5142               239.9584                29.8447
  Dep-P Fr= 1--      0.0108                 0.0637                 0.7245
  Dep-U Fr= 1--      0.0213                 0.1198                 0.8403
 Alpha2 Fr= 1--      9.8494                 4.5874                 0.0131
 Beta2  Fr= 1--      1.6133                 4.7892                 4.1795
 AlphaG Fr= 1--      1.4557                -0.4631                 0.1772
 Gamma2 Fr= 1--      1.4863                 0.7004                 1.3948
 Delta2 Fr= 1--      0.0162                 3.6098                -1.0224
 Raman1 Fr= 1--    1818.057                959.834                119.379
 ROA1   Fr= 1--     143.205                182.752                101.184
 CID1   Fr= 1--       0.079                  0.190                  0.848
 Raman2 Fr= 1--      19.359                 57.471                 50.154
 ROA2   Fr= 1--      35.543                -12.069                 41.654
 CID2   Fr= 1--       1.836                 -0.210                  0.831
 Raman3 Fr= 1--      38.718                114.942                100.308
 ROA3   Fr= 1--     143.205                182.752                101.184
 CID3   Fr= 1--       3.699                  1.590                  1.009
 RC180  Fr= 1--      -0.957                 -0.760                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     69.5978                23.3637               115.5891
  Dep-P Fr= 1--      0.1744                 0.7364                 0.4524
  Dep-U Fr= 1--      0.2970                 0.8482                 0.6229
 Alpha2 Fr= 1--      1.0108                 0.0054                 0.7019
 Beta2  Fr= 1--      3.4447                 3.3027                12.0005
 AlphaG Fr= 1--     -0.0484                 0.0257                 1.3704
 Gamma2 Fr= 1--     -0.4955                10.9127                -6.3544
 Delta2 Fr= 1--     -3.4303                -3.5410                14.5161
 Raman1 Fr= 1--     278.391                 93.455                462.357
 ROA1   Fr= 1--    -157.338                934.305               -145.505
 CID1   Fr= 1--      -0.565                  9.997                 -0.315
 Raman2 Fr= 1--      41.336                 39.632                144.006
 ROA2   Fr= 1--      15.550                290.233               -268.633
 CID2   Fr= 1--       0.376                  7.323                 -1.865
 Raman3 Fr= 1--      82.673                 79.265                288.012
 ROA3   Fr= 1--    -157.338                934.305               -145.505
 CID3   Fr= 1--      -1.903                 11.787                 -0.505
 RC180  Fr= 1--      -0.406                  0.696                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    120.9065                50.4138               107.9974
  Dep-P Fr= 1--      0.6577                 0.7037                 0.6827
  Dep-U Fr= 1--      0.7935                 0.8261                 0.8114
 Alpha2 Fr= 1--      0.1994                 0.0406                 0.1281
 Beta2  Fr= 1--     15.9906                 6.9409                14.6049
 AlphaG Fr= 1--      0.0855                 0.1733                 0.0958
 Gamma2 Fr= 1--     -5.4022                 9.8004                 0.2789
 Delta2 Fr= 1--    -10.4294                 1.1766                -4.1010
 Raman1 Fr= 1--     483.626                201.655                431.989
 ROA1   Fr= 1--    -852.356                978.488               -104.457
 CID1   Fr= 1--      -1.762                  4.852                 -0.242
 Raman2 Fr= 1--     191.887                 83.291                175.258
 ROA2   Fr= 1--     -46.219                225.796                 39.502
 CID2   Fr= 1--      -0.241                  2.711                  0.225
 Raman3 Fr= 1--     383.773                166.583                350.517
 ROA3   Fr= 1--    -852.356                978.488               -104.457
 CID3   Fr= 1--      -2.221                  5.874                 -0.298
 RC180  Fr= 1--       0.587                  0.652                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     27.8719                12.0976               103.9133
  Dep-P Fr= 1--      0.6812                 0.1200                 0.6784
  Dep-U Fr= 1--      0.8104                 0.2143                 0.8084
 Alpha2 Fr= 1--      0.0338                 0.2016                 0.1313
 Beta2  Fr= 1--      3.7646                 0.4322                14.0009
 AlphaG Fr= 1--      0.0623                 0.0039                -0.1589
 Gamma2 Fr= 1--     -1.4871                -0.8356                 0.5771
 Delta2 Fr= 1--      1.8882                -0.7550                 2.5899
 Raman1 Fr= 1--     111.488                 48.390                415.653
 ROA1   Fr= 1--     -82.338               -104.378                138.282
 CID1   Fr= 1--      -0.739                 -2.157                  0.333
 Raman2 Fr= 1--      45.175                  5.186                168.011
 ROA2   Fr= 1--     -50.796                -14.015                 -6.868
 CID2   Fr= 1--      -1.124                 -2.702                 -0.041
 Raman3 Fr= 1--      90.349                 10.372                336.022
 ROA3   Fr= 1--     -82.338               -104.378                138.282
 CID3   Fr= 1--      -0.911                -10.063                  0.412
 RC180  Fr= 1--       0.621                 -0.571                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    117.2469               132.2243               148.1093
  Dep-P Fr= 1--      0.1388                 0.1262                 0.2413
  Dep-U Fr= 1--      0.2437                 0.2241                 0.3887
 Alpha2 Fr= 1--      1.8646                 2.1702                 1.7986
 Beta2  Fr= 1--      4.7626                 4.9378                 9.5959
 AlphaG Fr= 1--      0.2128                -0.3633                -0.2888
 Gamma2 Fr= 1--      2.2220                 1.0890                -6.0261
 Delta2 Fr= 1--      1.1571                -0.5961                -0.0817
 Raman1 Fr= 1--     468.988                528.897                592.437
 ROA1   Fr= 1--     250.340                 85.464               -581.125
 CID1   Fr= 1--       0.534                  0.162                 -0.981
 Raman2 Fr= 1--      57.152                 59.253                115.151
 ROA2   Fr= 1--      44.071                 30.904               -143.973
 CID2   Fr= 1--       0.771                  0.522                 -1.250
 Raman3 Fr= 1--     114.303                118.507                230.302
 ROA3   Fr= 1--     250.340                 85.464               -581.125
 CID3   Fr= 1--       2.190                  0.721                 -2.523
 RC180  Fr= 1--      -0.513                 -0.552                 -0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3       33333333333333333                           111111111111111111111111111111111111                                       
      7       11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
      2       87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
      4       47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
      X       XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X            XXXX   XXX                             X  X           X            XX X X               X XXX                     
      X              XX    XX                             X              X            XX X X               X  XX                     
      X               X    X                              X                           X    X                  X                      
      X                                                   X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.227257D+03 -0.874193D+00  0.542151D+00
      2  -0.874193D+00  0.139789D+03  0.210039D+00
      3   0.542151D+00  0.210039D+00  0.157892D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.711088D+01 -0.307138D+01  0.230729D+02
      2  -0.457534D+02  0.431877D+01  0.447473D+02
      3  -0.104581D+03 -0.323612D+02 -0.152009D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.252228D+03  0.380056D+02 -0.791349D+02
      2  -0.138030D+03 -0.473321D+01  0.354270D+02
      3  -0.114198D+03 -0.332724D+02  0.437079D+02
      4  -0.397870D+02  0.586123D+02  0.991297D+01
      5  -0.494484D+02  0.609602D+01  0.959470D+02
      6   0.722517D+01  0.125790D+02 -0.506072D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110189D+02  0.757294D+00  0.936774D-01  0.164221D+01  0.220875D+01
      2   0.757294D+00  0.147501D+01 -0.864194D-01  0.220875D+01 -0.164718D+01
      3   0.936774D-01 -0.864194D-01  0.319494D+01  0.825515D+00  0.339161D+01
                 6             7             8             9            10 
      1   0.825515D+00  0.139382D+02  0.701505D+00 -0.154477D+01  0.324534D+02
      2   0.339161D+01  0.701505D+00  0.138792D+01  0.429386D+00  0.110749D+01
      3  -0.287465D+00 -0.154477D+01  0.429386D+00  0.182897D+00 -0.156029D+01
                11            12            13            14            15 
      1   0.110749D+01 -0.156029D+01 -0.166327D+01  0.495139D+01  0.468579D+00
      2   0.151743D+01 -0.250620D+00  0.495139D+01 -0.947309D+00 -0.171556D+00
      3  -0.250620D+00  0.336169D+01  0.468579D+00 -0.171556D+00 -0.827321D+00
                16            17            18            19            20 
      1  -0.369803D+01  0.407162D+00  0.962546D+00  0.131559D+02 -0.662105D+00
      2   0.407162D+00 -0.403205D+00 -0.782743D+00 -0.662105D+00 -0.162157D+01
      3   0.962546D+00 -0.782743D+00  0.771392D+00 -0.273943D+00  0.108079D+01
                21            22            23            24            25 
      1  -0.273943D+00 -0.534728D+00 -0.208713D+01  0.535434D+00  0.122949D+02
      2   0.108079D+01 -0.208713D+01 -0.487802D+00  0.350152D+01 -0.104594D+01
      3  -0.257217D+01  0.535434D+00  0.350152D+01  0.448740D+00  0.138355D+01
                26            27            28            29            30 
      1  -0.104594D+01  0.138355D+01 -0.297409D+02 -0.114151D+00  0.556578D+00
      2   0.209688D+01  0.187604D+00 -0.114151D+00 -0.136406D+01 -0.370569D-01
      3   0.187604D+00  0.564482D+00  0.556578D+00 -0.370569D-01 -0.275101D+01
                31            32            33            34            35 
      1   0.297997D+01 -0.539103D+01 -0.179610D-01  0.145770D+01 -0.161534D+00
      2  -0.539103D+01  0.673384D+00 -0.876371D-01 -0.161534D+00 -0.729746D+00
      3  -0.179610D-01 -0.876371D-01  0.261981D+00 -0.651687D+00 -0.356833D+00
                36            37            38            39            40 
      1  -0.651687D+00  0.871040D+01 -0.314224D+00 -0.481910D+00  0.432776D+00
      2  -0.356833D+00 -0.314224D+00 -0.152326D+01 -0.787677D+00 -0.160696D+01
      3   0.111797D+01 -0.481910D+00 -0.787677D+00 -0.254711D+01 -0.477552D+00
                41            42            43            44            45 
      1  -0.160696D+01 -0.477552D+00 -0.136898D+02  0.602493D+00  0.457304D+00
      2   0.618402D+00 -0.296763D+01  0.602493D+00 -0.141802D+01 -0.119077D+00
      3  -0.296763D+01 -0.271301D-01  0.457304D+00 -0.119077D+00 -0.108289D+01
                46            47            48            49            50 
      1  -0.104044D+02  0.143795D+00  0.502251D+00  0.198832D+01  0.137496D+01
      2   0.143795D+00  0.128793D+01  0.668692D-01  0.137496D+01 -0.350615D+00
      3   0.502251D+00  0.668692D-01  0.135779D+01 -0.719605D+00 -0.339504D+01
                51            52            53            54            55 
      1  -0.719605D+00 -0.111919D+02 -0.364568D+00 -0.574843D+00 -0.162994D+02
      2  -0.339504D+01 -0.364568D+00 -0.162425D+01  0.446535D-01 -0.187774D+01
      3  -0.727064D+00 -0.574843D+00  0.446535D-01 -0.758500D+00  0.522691D+00
                56            57            58            59            60 
      1  -0.187774D+01  0.522691D+00 -0.747767D+01 -0.670632D+01  0.385009D+00
      2  -0.281173D+01  0.333923D+00 -0.670632D+01  0.621914D+00  0.141599D+01
      3   0.333923D+00 -0.210584D+01  0.385009D+00  0.141599D+01  0.317947D+01
                61            62            63            64            65 
      1   0.482166D+01  0.517987D+00 -0.400603D+01  0.948083D+00  0.227316D+01
      2   0.517987D+00  0.191163D+01  0.411797D+01  0.227316D+01  0.346015D+01
      3  -0.400603D+01  0.411797D+01 -0.113729D+01  0.266628D+01 -0.896929D+00
                66            67            68            69            70 
      1   0.266628D+01  0.121056D+02  0.650646D+01 -0.191029D+01  0.722931D+00
      2  -0.896929D+00  0.650646D+01  0.792194D+00 -0.165792D+01 -0.108265D+01
      3   0.253615D+01 -0.191029D+01 -0.165792D+01 -0.344228D+01  0.391182D+01
                71            72            73            74            75 
      1  -0.108265D+01  0.391182D+01  0.363412D+01 -0.138510D+01 -0.228041D+01
      2  -0.201829D+01 -0.376204D+01 -0.138510D+01 -0.346665D+01  0.115815D+01
      3  -0.376204D+01  0.350323D+01 -0.228041D+01  0.115815D+01 -0.242756D+01
                76            77            78            79            80 
      1  -0.366057D+01 -0.564389D+01  0.153761D+01 -0.221503D+01  0.127763D+01
      2  -0.564389D+01 -0.208008D+01  0.310359D+01  0.127763D+01  0.277969D+01
      3   0.153761D+01  0.310359D+01  0.358977D+01 -0.391418D+01  0.379923D+01
                81            82            83            84            85 
      1  -0.391418D+01  0.555752D+01 -0.247660D+01 -0.190111D+01 -0.410194D+01
      2   0.379923D+01 -0.247660D+01 -0.317426D+01  0.898073D+00 -0.417408D+01
      3  -0.112284D+00 -0.190111D+01  0.898073D+00 -0.207282D+01  0.144911D+01
                86            87            88            89            90 
      1  -0.417408D+01  0.144911D+01 -0.173682D+01  0.113785D+01 -0.272905D+01
      2  -0.410226D+01  0.185523D+01  0.113785D+01  0.296300D+01  0.247786D+01
      3   0.185523D+01  0.278164D+01 -0.272905D+01  0.247786D+01 -0.350037D+01
                91            92            93            94            95 
      1   0.575853D+01  0.211454D+01 -0.341618D+00 -0.104154D+00  0.626439D+01
      2   0.211454D+01  0.213720D+01  0.762840D+00  0.626439D+01 -0.256778D+01
      3  -0.341618D+00  0.762840D+00  0.948539D+00  0.445308D+00  0.131014D+01
                96            97            98            99           100 
      1   0.445308D+00  0.353524D+01  0.505356D+00  0.140034D+01  0.254558D+01
      2   0.131014D+01  0.505356D+00  0.301587D+01 -0.365878D+00 -0.130221D+01
      3  -0.265816D+00  0.140034D+01 -0.365878D+00 -0.490717D+01  0.195198D+01
               101           102           103           104           105 
      1  -0.130221D+01  0.195198D+01 -0.441311D+00 -0.189861D+01 -0.175549D+00
      2   0.256675D-01 -0.691299D+00 -0.189861D+01  0.345417D+01 -0.234071D+01
      3  -0.691299D+00  0.896394D+00 -0.175549D+00 -0.234071D+01 -0.337128D+00
               106           107           108           109           110 
      1   0.291445D+01 -0.193290D+01  0.239930D+01 -0.489235D+01  0.950863D+00
      2  -0.193290D+01  0.591969D+00 -0.174963D+01  0.950863D+00 -0.113230D+01
      3   0.239930D+01 -0.174963D+01  0.452473D+01 -0.394545D+01  0.466015D+00
               111           112           113           114           115 
      1  -0.394545D+01  0.605723D+00 -0.114945D+01  0.642388D+00 -0.844566D+01
      2   0.466015D+00 -0.114945D+01  0.203292D+00 -0.147943D+01  0.256862D+01
      3  -0.214612D+01  0.642388D+00 -0.147943D+01  0.920238D+00 -0.443711D+01
               116           117           118           119           120 
      1   0.256862D+01 -0.443711D+01  0.689960D+00  0.521687D+00  0.132133D+01
      2  -0.426719D+01  0.165768D+01  0.521687D+00  0.220783D+01 -0.216902D+00
      3   0.165768D+01 -0.931101D+01  0.132133D+01 -0.216902D+00  0.120751D+00
               121           122           123           124           125 
      1   0.876790D+00  0.185110D+01 -0.779612D+00  0.349059D+01 -0.209947D+01
      2   0.185110D+01 -0.410948D+01  0.325648D+01 -0.209947D+01  0.566433D+01
      3  -0.779612D+00  0.325648D+01  0.243701D+00 -0.671704D+00  0.214336D+01
               126           127           128           129           130 
      1  -0.671704D+00  0.342373D+01 -0.387155D+00  0.266878D+01 -0.119214D+01
      2   0.214336D+01 -0.387155D+00  0.510243D+00 -0.557023D+00  0.153656D+00
      3   0.324183D+01  0.266878D+01 -0.557023D+00  0.288211D+01 -0.564958D+00
               131           132           133           134           135 
      1   0.153656D+00 -0.564958D+00  0.305793D+01 -0.476274D+00  0.336129D+01
      2  -0.229428D+00  0.207544D+00 -0.476274D+00  0.101995D+01 -0.103913D+01
      3   0.207544D+00 -0.695127D+00  0.336129D+01 -0.103913D+01  0.664514D+01
               136           137           138           139           140 
      1  -0.231485D+01 -0.879526D-01  0.227292D+01  0.173577D+00  0.856802D-01
      2  -0.879526D-01 -0.209055D+00  0.871408D-01  0.856802D-01 -0.565133D-01
      3   0.227292D+01  0.871408D-01 -0.260934D+01 -0.801947D-01  0.128852D+00
               141           142           143           144           145 
      1  -0.801947D-01  0.238755D+01  0.269862D+00 -0.308126D+01 -0.363519D+01
      2   0.128852D+00  0.269862D+00  0.937888D+00 -0.571953D+00  0.479594D+00
      3  -0.263486D+00 -0.308126D+01 -0.571953D+00  0.851294D+01 -0.201378D+01
               146           147           148           149           150 
      1   0.479594D+00 -0.201378D+01  0.793672D+00 -0.136570D+00  0.445823D+00
      2  -0.545773D+00  0.210457D+00 -0.136570D+00  0.152221D+00 -0.167448D+00
      3   0.210457D+00 -0.201991D+01  0.445823D+00 -0.167448D+00  0.511915D+00
               151           152           153           154           155 
      1  -0.286889D+01  0.238809D+00 -0.288230D+01  0.231934D+01  0.630579D-01
      2   0.238809D+00 -0.902333D+00  0.392054D+00  0.630579D-01  0.232782D+00
      3  -0.288230D+01  0.392054D+00 -0.557643D+01 -0.211284D+01  0.190221D+00
               156           157           158           159           160 
      1  -0.211284D+01 -0.221299D+00 -0.415312D-01  0.143772D+00 -0.265166D+01
      2   0.190221D+00 -0.415312D-01 -0.645851D-01 -0.137653D+00 -0.924968D-01
      3   0.230537D+01  0.143772D+00 -0.137653D+00  0.118152D+00  0.303357D+01
               161           162           163           164           165 
      1  -0.924968D-01  0.303357D+01  0.260849D+01 -0.107154D+01 -0.131836D+01
      2  -0.885876D+00 -0.194585D+00 -0.107154D+01  0.141167D+01  0.525026D+00
      3  -0.194585D+00 -0.786728D+01 -0.131836D+01  0.525026D+00  0.735750D+00
               166           167           168           169           170 
      1  -0.163195D+01  0.243312D+01  0.973054D+00 -0.640779D+01  0.986668D+00
      2   0.243312D+01 -0.421139D+01 -0.228877D+01  0.986668D+00 -0.331295D+01
      3   0.973054D+00 -0.228877D+01 -0.193984D+01  0.245167D+01 -0.262396D+01
               171           172           173           174           175 
      1   0.245167D+01  0.254775D+01 -0.880478D+00  0.161828D+01 -0.217100D+00
      2  -0.262396D+01 -0.880478D+00  0.154959D+01 -0.714512D+00  0.157398D+01
      3  -0.299149D+01  0.161828D+01 -0.714512D+00  0.133831D+01 -0.547517D+00
               176           177           178           179           180 
      1   0.157398D+01 -0.547517D+00  0.486436D+01 -0.835922D+00  0.194942D+01
      2  -0.191638D+01  0.105574D+01 -0.835922D+00  0.219462D+01 -0.211975D+01
      3   0.105574D+01 -0.118605D+01  0.194942D+01 -0.211975D+01  0.354166D+01
               181           182           183           184           185 
      1  -0.198749D+01 -0.211580D+00 -0.155976D+01 -0.459546D+00 -0.894496D+00
      2  -0.211580D+00 -0.124287D+01  0.455354D+00 -0.894496D+00  0.142041D+01
      3  -0.155976D+01  0.455354D+00 -0.144881D+01  0.318686D+00 -0.105054D+01
               186           187           188           189           190 
      1   0.318686D+00 -0.305225D+01  0.144431D+00 -0.989874D+00  0.926509D+00
      2  -0.105054D+01  0.144431D+00 -0.150002D+01  0.179061D+01 -0.862550D+00
      3   0.204551D+01 -0.989874D+00  0.179061D+01 -0.529235D+01 -0.911353D+00
               191           192           193           194           195 
      1  -0.862550D+00 -0.911353D+00 -0.257117D+01  0.190076D+01  0.137507D+01
      2   0.777159D+00  0.401594D+00  0.190076D+01 -0.288379D+01 -0.245569D+01
      3   0.401594D+00  0.105823D+01  0.137507D+01 -0.245569D+01 -0.301766D+01
               196           197           198           199           200 
      1  -0.282020D+01  0.976648D+00  0.269218D+01  0.362567D+01 -0.771756D+00
      2   0.976648D+00 -0.268528D+01 -0.258430D+01 -0.771756D+00  0.115084D+01
      3   0.269218D+01 -0.258430D+01 -0.473504D+01  0.171740D+01 -0.589226D+00
               201           202           203           204           205 
      1   0.171740D+01 -0.187898D+01  0.169605D+01 -0.796666D+00  0.512814D+01
      2  -0.589226D+00  0.169605D+01 -0.111603D+01  0.595381D+00 -0.106736D+01
      3   0.171952D+01 -0.796666D+00  0.595381D+00 -0.147283D+01  0.266636D+01
               206           207           208           209           210 
      1  -0.106736D+01  0.266636D+01  0.423994D+01  0.258732D+01 -0.930181D+00
      2   0.139366D+01 -0.135020D+01  0.258732D+01  0.238302D+01 -0.767635D+00
      3  -0.135020D+01  0.363651D+01 -0.930181D+00 -0.767635D+00  0.972994D+00
               211           212           213           214           215 
      1   0.642994D+01  0.435890D+01 -0.171167D+01 -0.135370D+01 -0.100690D+01
      2   0.435890D+01  0.536703D+01 -0.158441D+01 -0.100690D+01 -0.138042D+01
      3  -0.171167D+01 -0.158441D+01  0.134730D+01  0.171451D+01  0.693058D+00
               216           217           218           219           220 
      1   0.171451D+01  0.136182D+01  0.206558D+00  0.171762D+01 -0.758628D+00
      2   0.693058D+00  0.206558D+00  0.107881D+01 -0.755409D-02  0.571395D+00
      3  -0.112405D+01  0.171762D+01 -0.755409D-02  0.234178D+01 -0.669816D+00
               221           222           223           224           225 
      1   0.571395D+00 -0.669816D+00  0.250907D+01  0.789277D-01  0.220995D+01
      2  -0.290919D+00  0.540034D+00  0.789277D-01  0.129959D+01 -0.889021D-01
      3   0.540034D+00 -0.186690D+01  0.220995D+01 -0.889021D-01  0.625079D+01
               226           227           228           229           230 
      1  -0.843235D+01  0.477380D+00  0.107832D+01  0.171256D+00 -0.114431D+01
      2   0.477380D+00 -0.221729D+01 -0.846775D+00 -0.114431D+01  0.121716D+01
      3   0.107832D+01 -0.846775D+00 -0.111428D+01 -0.526696D+00  0.668663D-01
               231           232           233           234           235 
      1  -0.526696D+00  0.111753D+01 -0.358601D+00 -0.400796D+00  0.224277D+01
      2   0.668663D-01 -0.358601D+00 -0.252817D-01  0.233829D+00  0.265322D+01
      3   0.156928D+00 -0.400796D+00  0.233829D+00  0.102095D+01  0.138232D+00
               236           237           238           239           240 
      1   0.265322D+01  0.138232D+00  0.303792D+01  0.387493D+01 -0.836941D-01
      2   0.330008D+01  0.711155D-01  0.387493D+01  0.861375D+01 -0.914297D-01
      3   0.711155D-01  0.823787D+00 -0.836941D-01 -0.914297D-01  0.877438D+00
               241           242           243           244           245 
      1  -0.974421D+00 -0.792753D+00  0.796865D+00  0.259049D+00 -0.459628D+00
      2  -0.792753D+00 -0.179346D+01  0.666943D+00 -0.459628D+00 -0.557621D+00
      3   0.796865D+00  0.666943D+00 -0.165504D+00  0.159242D+01 -0.109768D+00
               246           247           248           249           250 
      1   0.159242D+01 -0.417346D+00 -0.101189D+01 -0.869216D-01  0.322338D+01
      2  -0.109768D+00 -0.101189D+01  0.279635D+00  0.743844D+00 -0.207662D-01
      3  -0.121985D+01 -0.869216D-01  0.743844D+00  0.385317D-02 -0.201655D+01
               251           252           253           254           255 
      1  -0.207662D-01 -0.201655D+01  0.845936D+01 -0.479881D+00 -0.125794D+01
      2   0.132196D+01 -0.256756D-01 -0.479881D+00 -0.353398D+01  0.157954D-02
      3  -0.256756D-01  0.639525D+01 -0.125794D+01  0.157954D-02 -0.101178D+01
               256           257           258           259           260 
      1  -0.595876D+01 -0.412184D+01 -0.546506D+00 -0.436473D+01 -0.611905D+00
      2  -0.412184D+01  0.196959D+01 -0.243521D+01 -0.611905D+00 -0.334771D+01
      3  -0.546506D+00 -0.243521D+01  0.506434D+00 -0.125986D+01  0.126716D+01
               261           262           263           264           265 
      1  -0.125986D+01 -0.116392D+01  0.168269D+01  0.103399D+00  0.173975D+01
      2   0.126716D+01  0.168269D+01 -0.229134D+01  0.525595D-02 -0.297656D+01
      3   0.396807D+01  0.103399D+00  0.525595D-02 -0.327684D+00  0.137741D+00
               266           267           268           269           270 
      1  -0.297656D+01  0.137741D+00 -0.794465D+00  0.141583D+01 -0.440912D+00
      2   0.980566D+01 -0.226275D+00  0.141583D+01 -0.400838D+01  0.112072D+01
      3  -0.226275D+00  0.141707D+01 -0.440912D+00  0.112072D+01 -0.338909D+00
               271           272           273           274           275 
      1  -0.284557D+00  0.114666D+00 -0.527567D+00  0.560408D+00  0.221476D+00
      2   0.114666D+00  0.653252D+00  0.184053D+00  0.221476D+00 -0.525350D+00
      3  -0.527567D+00  0.184053D+00  0.367934D+00 -0.472510D-01 -0.536471D+00
               276           277           278           279           280 
      1  -0.472510D-01 -0.240682D+01 -0.648757D+00 -0.553192D+00 -0.153457D+02
      2  -0.536471D+00 -0.648757D+00 -0.198896D+01 -0.146541D+01 -0.218129D+01
      3  -0.750814D+00 -0.553192D+00 -0.146541D+01 -0.577921D+01  0.417324D+00
               281           282           283           284           285 
      1  -0.218129D+01  0.417324D+00  0.101669D+01 -0.890480D+00  0.549417D-01
      2  -0.170230D+01 -0.532258D-01 -0.890480D+00 -0.261989D+00  0.269624D+00
      3  -0.532258D-01 -0.105893D+01  0.549417D-01  0.269624D+00  0.805472D-01
               286           287           288           289           290 
      1   0.174476D+01  0.376276D+00 -0.120991D+01  0.520385D-01 -0.607364D+00
      2   0.376276D+00  0.624763D+00 -0.318656D+00 -0.607364D+00  0.223541D+01
      3  -0.120991D+01 -0.318656D+00 -0.216535D-01  0.477027D+00 -0.285835D+00
               291           292           293           294           295 
      1   0.477027D+00 -0.126405D+01 -0.151858D+00  0.442314D-02  0.146373D+01
      2  -0.285835D+00 -0.151858D+00 -0.733993D+01  0.163138D+01  0.392732D+00
      3   0.471190D+00  0.442314D-02  0.163138D+01 -0.138378D+01 -0.266405D-01
               296           297 
      1   0.392732D+00 -0.266405D-01
      2   0.308764D+01 -0.150341D+01
      3  -0.150341D+01  0.823602D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.287174D+01  0.247899D+01  0.207201D+01  0.972621D+01  0.178358D+01
      2   0.569003D+01 -0.147728D+01  0.338026D+01 -0.226143D+01 -0.113799D+01
      3   0.140456D+02 -0.215422D+01 -0.819943D+00  0.108493D+02 -0.163308D+00
                 6             7             8             9            10 
      1  -0.210528D+01 -0.106466D+01  0.281312D+01  0.193342D+00 -0.441178D+01
      2  -0.177117D+00 -0.886888D+01  0.260681D+00 -0.538182D+00 -0.158596D+02
      3  -0.492556D+01 -0.135070D+02 -0.217814D+01  0.107776D+01 -0.308822D+02
                11            12            13            14            15 
      1  -0.700523D+00  0.153833D+01  0.173625D+01  0.456819D+00 -0.102612D+02
      2   0.120125D+00 -0.329481D+01  0.226528D+01 -0.193692D+01 -0.319426D+00
      3   0.501694D+00  0.521468D+00  0.112905D+02 -0.196985D+01  0.797846D-01
                16            17            18            19            20 
      1  -0.336513D+01 -0.338267D+01 -0.681434D+00 -0.321994D+01 -0.129479D+01
      2  -0.250509D+02 -0.288625D+01 -0.284043D+01 -0.738432D+01  0.151028D+00
      3   0.302588D+01  0.366161D+00 -0.114790D+00 -0.127510D+02  0.300219D+00
                21            22            23            24            25 
      1  -0.112612D+01 -0.590579D+01  0.234603D+01  0.561129D+00 -0.205234D+00
      2   0.747597D+01 -0.181356D+01  0.975009D+00 -0.123509D+01 -0.107461D+02
      3   0.147635D-02  0.110678D+02  0.889963D+00  0.325432D+01 -0.123393D+02
                26            27            28            29            30 
      1   0.339853D+01  0.973759D+00  0.186933D+01 -0.237418D+00 -0.282601D+01
      2   0.759538D+00  0.191397D+01  0.121680D+02  0.902324D+00 -0.464662D+01
      3   0.427192D+01 -0.184943D+01  0.274605D+02  0.301252D+00 -0.910540D+00
                31            32            33            34            35 
      1  -0.349032D+01  0.139802D+01 -0.102437D+02 -0.460712D+01 -0.216214D+01
      2  -0.532842D+00  0.290558D+01  0.120656D+01 -0.277166D+02  0.168396D+01
      3   0.738138D+01  0.455367D+01 -0.507337D+00 -0.376442D+00 -0.428159D+01
                36            37            38            39            40 
      1  -0.142649D+00 -0.108218D+01  0.107780D+01 -0.126354D+01  0.721525D+01
      2  -0.322939D+00 -0.100517D+02 -0.138899D+01  0.542960D+01 -0.753831D+00
      3   0.343987D+01 -0.938550D+01 -0.841604D+00  0.145266D+01  0.135264D+02
                41            42            43            44            45 
      1  -0.228561D+01 -0.296937D+01  0.313813D+01  0.160328D+01 -0.119302D+01
      2  -0.151745D+01  0.278461D+00  0.521058D+01 -0.229680D-01 -0.371199D+01
      3   0.161470D+00 -0.368287D+01  0.139256D+02 -0.186573D+01 -0.178615D+01
                46            47            48            49            50 
      1   0.287582D+01 -0.155420D+01  0.160495D+01 -0.712574D+01 -0.195316D+01
      2   0.117468D+02  0.327524D+00  0.988712D+01 -0.959891D+00  0.719657D+00
      3   0.144243D+02 -0.103280D+01  0.921407D+00  0.126134D+02 -0.775461D+00
                51            52            53            54            55 
      1  -0.233703D+01  0.128860D+01  0.266279D+01 -0.237293D+00  0.368688D+01
      2  -0.189719D+01  0.344561D+01 -0.743224D-01  0.539643D+01  0.269852D+01
      3   0.366309D+01  0.120216D+02  0.954821D+00  0.106732D+01  0.161141D+02
                56            57            58            59            60 
      1   0.172060D+01 -0.108118D+01  0.510593D+01  0.427131D+01  0.228540D+01
      2   0.218637D-01 -0.384824D+01  0.840361D+00  0.549633D+01  0.143218D+02
      3   0.659021D+01 -0.769844D+00  0.352331D+02  0.555292D+01 -0.453650D+01
                61            62            63            64            65 
      1  -0.150212D+01  0.677673D+01 -0.181577D+01 -0.475648D+01 -0.955058D+00
      2  -0.233789D+02  0.151191D+02 -0.664866D+01  0.859333D+01 -0.293736D+01
      3  -0.756018D+01 -0.570891D+01 -0.997386D+01 -0.164622D+02 -0.180048D+02
                66            67            68            69            70 
      1  -0.149414D+01 -0.255202D+01 -0.813459D+00 -0.105884D+00  0.152012D+01
      2   0.148339D+02 -0.777012D+01 -0.554270D+01 -0.175262D+02  0.130803D+02
      3   0.509235D+01 -0.289268D+02 -0.427356D+01  0.498105D+01  0.940100D+01
                71            72            73            74            75 
      1   0.664737D+01 -0.919391D+00  0.153922D+01  0.207210D+01 -0.450117D+00
      2  -0.164440D+02  0.177681D+02 -0.875793D+01  0.533696D+01 -0.144488D+02
      3   0.736086D+01  0.160037D+02  0.808260D+01  0.179145D+02 -0.678761D+01
                76            77            78            79            80 
      1   0.372683D+01  0.854798D+00 -0.501134D+01 -0.739522D-01 -0.161381D+01
      2   0.659137D+01  0.138061D+02  0.230629D+02 -0.286790D+02  0.224928D+02
      3   0.364204D+02  0.105739D+02 -0.178251D+02 -0.701877D+01 -0.156354D+02
                81            82            83            84            85 
      1  -0.240174D+01  0.312619D+01 -0.475782D+01  0.486918D+01 -0.652311D+01
      2  -0.183777D+01 -0.146069D+02  0.682953D+01 -0.250310D+01  0.897655D+01
      3  -0.217252D+02  0.223645D+02  0.459843D+01 -0.793836D+01  0.132546D+02
                86            87            88            89            90 
      1  -0.101177D+02 -0.647513D+01  0.636217D+01 -0.718036D+00  0.945243D+01
      2   0.964316D+01  0.892886D+01 -0.872757D+01  0.778555D+01 -0.116742D+02
      3   0.873721D+01 -0.495717D+01 -0.886878D+01 -0.842900D+01 -0.122553D+02
                91            92            93            94            95 
      1   0.256302D+00  0.928995D+00  0.204467D+01  0.146146D+01 -0.131712D+01
      2  -0.517179D+01 -0.307385D+01  0.113276D+01  0.173098D+01 -0.867241D+01
      3  -0.298748D+01  0.163112D+01  0.269728D+01  0.335073D+02 -0.123836D+02
                96            97            98            99           100 
      1  -0.339447D+01  0.218048D+01  0.512248D+01 -0.165924D+01 -0.677124D+00
      2   0.313823D+00 -0.161071D+02  0.242283D+01  0.174936D+02  0.595215D+01
      3   0.512742D+01 -0.273191D+01  0.929465D+01 -0.269669D+01  0.113149D+02
               101           102           103           104           105 
      1  -0.704342D+01 -0.380049D+01 -0.141525D+01  0.361561D-01  0.171260D+01
      2   0.219352D+00  0.381116D+01 -0.323735D+01  0.101763D+02  0.655227D+01
      3  -0.149946D+02 -0.219376D+01 -0.109868D+02  0.502251D+01 -0.527393D+01
               106           107           108           109           110 
      1  -0.616093D+01 -0.364007D+01 -0.443695D+01  0.432245D+01  0.404159D+01
      2  -0.581219D+01  0.638436D+01 -0.242969D+02  0.884208D+01 -0.116715D+01
      3  -0.767984D+01  0.112559D+02 -0.457278D+01 -0.337770D+01 -0.422247D+01
               111           112           113           114           115 
      1   0.300806D+01  0.685819D+00  0.241427D+00 -0.396335D+01  0.329518D+01
      2   0.892640D+01  0.640004D+00  0.486965D+01 -0.538734D+01  0.696773D+01
      3  -0.848897D+00 -0.516896D+00  0.257509D+01 -0.538075D+01  0.112644D+02
               116           117           118           119           120 
      1   0.102069D+02  0.111049D+02 -0.360801D+01  0.213789D+01 -0.609546D+00
      2  -0.436248D+01  0.367436D+02 -0.608409D+01  0.159399D+01  0.137200D+01
      3  -0.198518D+02  0.462537D+01  0.811640D+00  0.795963D+01  0.174925D+01
               121           122           123           124           125 
      1   0.165588D+00 -0.322039D+01 -0.356301D+01 -0.192773D+01  0.643490D+01
      2  -0.315271D+00 -0.115106D+02 -0.164256D+01 -0.158067D+01 -0.635447D+01
      3   0.850647D+01 -0.959464D+01  0.101675D+02 -0.370213D+01  0.169130D+02
               126           127           128           129           130 
      1  -0.835868D+01  0.219152D+01  0.221134D+01  0.205855D+01 -0.101702D+01
      2  -0.109205D+02 -0.620102D+01 -0.220222D+00 -0.586819D+00  0.159041D+01
      3   0.722520D+01 -0.327785D+01 -0.155662D+01 -0.178891D+01  0.283964D+01
               131           132           133           134           135 
      1  -0.950323D-01 -0.221771D+01  0.273522D+01  0.315094D+01  0.482543D+01
      2  -0.797051D-01 -0.197476D+00 -0.449362D+01 -0.150482D+00  0.143065D+01
      3   0.313643D+00  0.302439D+00 -0.289758D+01 -0.208743D+01 -0.200595D+01
               136           137           138           139           140 
      1   0.177175D+01 -0.176407D+01 -0.199925D+01  0.522458D+00  0.168706D+00
      2   0.509902D+01 -0.131092D-02 -0.105363D+01 -0.490498D+00 -0.157149D+00
      3   0.160456D+01 -0.698194D+00 -0.159103D+01  0.129635D+01 -0.359264D-01
               141           142           143           144           145 
      1  -0.209205D+01 -0.192930D+01  0.410124D+01  0.528245D+01 -0.238884D+01
      2   0.443993D+00 -0.516843D+01 -0.226125D+00 -0.106441D+01 -0.799183D+01
      3  -0.458216D-01 -0.153900D+01  0.178420D+01  0.192666D+01  0.264087D+01
               146           147           148           149           150 
      1   0.284423D+01 -0.145863D+01  0.426013D+00 -0.498402D+00 -0.123440D+01
      2   0.107928D+01 -0.969758D+00  0.830616D+00 -0.169884D+00  0.317877D+00
      3  -0.154534D+01  0.145120D+01  0.612618D+00  0.444869D+00 -0.208844D+00
               151           152           153           154           155 
      1  -0.202996D+01  0.373288D+01 -0.342108D+01 -0.212987D+01 -0.168330D+01
      2  -0.469405D+01  0.269464D+00  0.128262D+01  0.497416D+01  0.509588D+00
      3   0.176553D+01 -0.251263D+01  0.199929D+01 -0.143630D+01 -0.778110D+00
               156           157           158           159           160 
      1   0.137361D+01  0.281076D+00 -0.112725D+00 -0.195218D+01  0.272812D+01
      2  -0.631904D+00 -0.156023D+00 -0.243234D+00 -0.116837D+00 -0.487093D+01
      3   0.120448D+01  0.176565D+01  0.290618D+00 -0.801772D-01  0.214613D+01
               161           162           163           164           165 
      1   0.404354D+01 -0.531236D+01 -0.961676D+00 -0.148094D+00  0.143163D+01
      2  -0.387694D+00 -0.244997D+01 -0.500626D+01  0.159244D+01  0.436894D+01
      3   0.205573D+01 -0.176851D+01 -0.517686D+00 -0.468049D+01 -0.170286D+00
               166           167           168           169           170 
      1   0.475178D+00 -0.124364D+01 -0.379185D+01  0.273894D+01 -0.835163D+00
      2   0.252107D+01 -0.807376D+01 -0.754239D+01  0.592430D+01 -0.977259D+01
      3  -0.312608D+01  0.104835D+02  0.521878D+01  0.434898D+01  0.983421D+01
               171           172           173           174           175 
      1  -0.394632D+01  0.168852D+01 -0.146625D+00  0.200038D+01 -0.132790D+01
      2  -0.965792D+01  0.635128D+01 -0.262938D+01  0.653591D+01 -0.153323D+01
      3   0.533228D+01 -0.289372D+00 -0.550625D+01  0.789506D+00 -0.195943D+01
               176           177           178           179           180 
      1   0.830315D+00 -0.331799D+01  0.188501D+01 -0.371001D+00  0.518714D+01
      2   0.303853D+01 -0.471556D+01  0.231565D+01 -0.762227D+01  0.131806D+02
      3   0.430488D+01 -0.206217D+01 -0.321515D+01 -0.677820D+01  0.424512D+01
               181           182           183           184           185 
      1   0.288129D+01  0.167154D+01  0.144488D+01  0.624707D+00 -0.604513D+00
      2  -0.104737D+02  0.138635D+01 -0.652649D+01  0.121931D+01 -0.483801D+01
      3  -0.205552D+01  0.367608D+01 -0.274738D+01  0.580926D+01 -0.551585D+01
               186           187           188           189           190 
      1  -0.223971D+01  0.167205D+01  0.199682D+01  0.302281D+01  0.118620D+01
      2   0.761661D+01 -0.104941D+02  0.673392D+01 -0.212847D+02 -0.460907D+01
      3   0.430801D+01 -0.317830D+01  0.533721D+01 -0.832898D+01  0.476564D+01
               191           192           193           194           195 
      1  -0.100644D+01 -0.294662D+00 -0.145940D+01  0.393796D+01  0.856837D+00
      2   0.164579D+01  0.595115D+01  0.393106D+01 -0.120147D+02 -0.166109D+02
      3  -0.526847D+01 -0.267322D+01 -0.767432D+01  0.161922D+02  0.131218D+02
               196           197           198           199           200 
      1  -0.110717D+01  0.492318D+01  0.207729D+01  0.179228D+00 -0.448379D-01
      2   0.965208D+01 -0.138344D+02 -0.240060D+02  0.119490D+02 -0.401556D+01
      3  -0.439946D+01  0.154652D+02  0.141946D+02  0.470953D+01 -0.779053D+01
               201           202           203           204           205 
      1   0.546271D+00 -0.687410D+00 -0.900020D-01 -0.122054D+01 -0.230094D-01
      2   0.125177D+02 -0.517065D+01  0.430806D+01 -0.973143D+01  0.147768D+02
      3   0.360089D+01 -0.738598D+01  0.656734D+01 -0.321447D+01  0.575101D+01
               206           207           208           209           210 
      1   0.158850D+01  0.719165D+00 -0.187128D+01 -0.199719D+01 -0.598605D+00
      2  -0.837320D+01  0.233159D+02 -0.171171D+01 -0.230093D+01  0.680870D+01
      3  -0.895215D+01  0.779636D+01 -0.123279D+02 -0.147206D+02  0.422575D+01
               211           212           213           214           215 
      1  -0.227900D+01 -0.433596D+01 -0.156392D+01 -0.955573D-02  0.190414D+01
      2  -0.445084D+01 -0.574956D+01  0.743806D+01  0.705111D+01  0.265693D+01
      3  -0.193596D+02 -0.300922D+02  0.820404D+01  0.502236D+01  0.792938D+01
               216           217           218           219           220 
      1   0.440026D+00 -0.341560D+01  0.195953D+01 -0.447698D+01  0.148216D+01
      2  -0.499202D+01  0.485307D+01  0.193408D+00  0.824248D+01 -0.600410D+00
      3  -0.310027D+01  0.330557D+00 -0.482051D+01  0.211438D+01 -0.176453D+01
               221           222           223           224           225 
      1  -0.216317D+01  0.278441D+01 -0.412764D+01  0.472495D+01 -0.120975D+02
      2   0.148706D+01 -0.718589D+01  0.196336D+01 -0.487243D+00  0.208129D+02
      3   0.248616D+01 -0.246027D+01  0.324118D+01 -0.574979D+01  0.305809D+01
               226           227           228           229           230 
      1  -0.363859D+01 -0.120337D+01  0.250554D+01 -0.433526D+00  0.357275D+00
      2   0.146860D+02 -0.292826D+01 -0.352809D+01 -0.171327D+01  0.159884D+01
      3  -0.217738D+02  0.631521D+01  0.513123D+01  0.605557D+01 -0.486889D+01
               231           232           233           234           235 
      1  -0.578192D+00  0.241108D+01  0.156070D+01 -0.163611D+01  0.166621D+01
      2   0.722372D-01 -0.580749D+01  0.540909D+00  0.326936D+01 -0.108811D+01
      3  -0.116730D+01  0.390863D+01 -0.234998D+00 -0.192157D+01 -0.591728D+01
               236           237           238           239           240 
      1   0.299627D+01 -0.309163D+01  0.442928D+01  0.756921D+01 -0.467936D+01
      2  -0.152658D+01  0.420253D+01 -0.325540D+01 -0.351331D+01  0.443640D+01
      3  -0.998893D+01 -0.252581D+00 -0.539165D+01 -0.267603D+02 -0.149092D+00
               241           242           243           244           245 
      1  -0.207619D+01 -0.128437D+01  0.130923D+01  0.330743D+00 -0.628891D+00
      2   0.242077D+01  0.262287D+01 -0.931486D+00 -0.656100D+01  0.606516D+00
      3   0.155887D+01  0.599370D+01 -0.117777D+01 -0.102338D+01 -0.238417D+01
               246           247           248           249           250 
      1  -0.777320D+00 -0.354013D+00  0.621966D+00 -0.454885D+00 -0.131506D+01
      2   0.402569D+01  0.292077D+00 -0.142136D+01  0.159379D-01  0.583704D+00
      3  -0.104122D+01 -0.126212D+01  0.110432D+01  0.202168D+01 -0.131387D+01
               251           252           253           254           255 
      1   0.354354D+01  0.246287D+01 -0.150892D+01  0.785098D+00 -0.287973D+01
      2  -0.364892D-01 -0.199767D+02  0.955346D+01  0.102892D+01  0.711109D+01
      3   0.367164D+01  0.149731D+01 -0.189684D+02 -0.160755D+02  0.209109D+01
               256           257           258           259           260 
      1  -0.117243D+01 -0.587618D+01  0.924875D+00 -0.873481D+00  0.574895D+01
      2   0.407811D+01  0.101777D+02 -0.361369D+01  0.523211D+01 -0.562801D+01
      3  -0.808991D+01  0.142593D+02 -0.930066D+01  0.166583D+01 -0.118110D+02
               261           262           263           264           265 
      1   0.850937D+01  0.547135D+00 -0.811904D+00  0.125340D+01 -0.238694D+01
      2  -0.189074D+02 -0.703782D-01 -0.484444D+00  0.913308D+00 -0.868330D+00
      3   0.642198D+01  0.349027D+01 -0.550949D+01 -0.671170D+00 -0.445461D+01
               266           267           268           269           270 
      1   0.664286D+01 -0.448861D+01  0.930066D+00 -0.205325D+01  0.255039D+01
      2   0.229700D+01 -0.504072D+01  0.980813D+00 -0.396535D+01  0.175381D+01
      3   0.299913D+02 -0.359003D+00  0.279194D+01 -0.131510D+02  0.337177D+01
               271           272           273           274           275 
      1  -0.163663D+01 -0.575000D+00  0.966104D+00 -0.325811D+00 -0.167469D+01
      2   0.447799D+01 -0.387632D+00 -0.210777D+01  0.113008D+01  0.222748D+01
      3  -0.924943D-01  0.158887D+01  0.136388D+01  0.108421D+01 -0.202774D+01
               276           277           278           279           280 
      1  -0.190760D+01  0.180354D+00  0.970926D+00 -0.118391D+02  0.855580D+00
      2   0.275953D+01 -0.264192D+01  0.528813D+01  0.237255D+02 -0.348994D+01
      3  -0.174826D+01  0.200109D+01 -0.617214D+01 -0.485085D+01  0.161576D+02
               281           282           283           284           285 
      1   0.111862D+00 -0.251458D+01  0.316583D+00  0.705500D+00 -0.473918D+00
      2   0.211015D+00  0.794521D+01 -0.732956D+00 -0.122775D+01  0.205195D+00
      3  -0.696990D+01 -0.119744D+01 -0.346140D+01  0.427033D+00  0.111735D+01
               286           287           288           289           290 
      1  -0.195599D+01  0.346654D+00 -0.310415D+00  0.146083D+01 -0.484884D+00
      2   0.369794D+01  0.967961D+00  0.507089D+00 -0.224545D+01  0.889495D+00
      3  -0.128296D+01  0.211875D+01  0.513886D+00 -0.435368D+01  0.827221D+01
               291           292           293           294           295 
      1   0.202499D+01 -0.195144D+00  0.407332D+01 -0.542812D+01  0.851334D+00
      2  -0.178033D+01 -0.214010D-01 -0.591996D+01  0.496939D+01 -0.209256D+01
      3  -0.211087D+01  0.487436D+01 -0.269078D+02  0.658860D+01 -0.222934D+01
               296           297 
      1  -0.204833D+01  0.240322D+01
      2   0.507671D+01 -0.280251D+01
      3   0.107927D+02 -0.566847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627459D+01  0.275871D+01 -0.247753D+02  0.830497D+01 -0.123665D+02
      2   0.485137D+01 -0.352772D+01  0.770790D+01 -0.771055D+01  0.127608D+02
      3   0.142322D+01  0.769016D+00  0.170674D+02 -0.594419D+00 -0.394283D+00
      4   0.550785D+01  0.350831D+01  0.352791D+01  0.114994D+02 -0.281657D+01
      5  -0.119969D+02  0.347864D+01 -0.642421D+01  0.423805D+01  0.613081D+01
      6   0.286294D+01  0.475489D+01 -0.287516D+01  0.444694D+01 -0.975569D+01
                 6             7             8             9            10 
      1   0.987675D+01  0.371937D+02  0.337533D+01  0.593644D+01  0.541137D+02
      2  -0.113454D+02 -0.382239D+01 -0.607323D+01  0.331807D+01 -0.227224D+02
      3   0.146869D+01 -0.333713D+02  0.269790D+01 -0.925451D+01 -0.313913D+02
      4   0.572974D+01 -0.277291D+01  0.468420D+01  0.314195D+01 -0.133956D+02
      5   0.279594D+01  0.404926D-01  0.216616D+01 -0.100271D+02 -0.105885D+02
      6   0.137535D+02  0.532381D+01  0.442002D+01  0.290618D+01  0.680440D+01
                11            12            13            14            15 
      1   0.694277D+01 -0.512673D+01  0.683003D+01  0.126233D+01  0.619319D+00
      2  -0.596525D+01  0.982627D+00 -0.119547D+02  0.883151D+01  0.125581D+01
      3  -0.977519D+00  0.414411D+01  0.512464D+01 -0.100938D+02 -0.187513D+01
      4  -0.166052D+01  0.239782D+00  0.220370D+02 -0.534664D+01 -0.933264D+00
      5  -0.511852D+00  0.921006D+01  0.433695D+01  0.380117D-02 -0.322199D+01
      6   0.155248D+01 -0.820456D+01  0.111613D+01  0.186400D+01  0.610159D+01
                16            17            18            19            20 
      1  -0.918566D+01 -0.155755D+01 -0.172404D+02  0.606293D+01 -0.605788D+01
      2  -0.953330D+00  0.345333D+01 -0.192880D+01 -0.395033D+00  0.522847D+01
      3   0.101390D+02 -0.189578D+01  0.191692D+02 -0.566790D+01  0.829402D+00
      4   0.995726D+00 -0.120210D+01 -0.417245D+01 -0.407712D+01 -0.135814D+00
      5  -0.137642D+02 -0.382495D+01  0.106424D+01  0.109478D+02 -0.159526D+00
      6  -0.186408D+01 -0.330631D+01 -0.154829D+01 -0.180633D+01 -0.595112D+01
                21            22            23            24            25 
      1   0.244614D+02 -0.575451D+00 -0.117978D+02 -0.712950D+00 -0.218909D+02
      2  -0.112105D+02  0.218683D+01  0.888307D+01 -0.690696D+01 -0.311501D+01
      3  -0.132509D+02 -0.161138D+01  0.291469D+01  0.761991D+01  0.250059D+02
      4   0.106786D+01  0.138679D+02  0.337725D+01 -0.523681D+01 -0.406486D+01
      5  -0.113742D+02 -0.403991D+01 -0.447460D+01  0.184667D+01  0.502385D+01
      6   0.753702D+01 -0.446282D+01 -0.625299D+01  0.155788D+02 -0.269005D+01
                26            27            28            29            30 
      1   0.124172D+01  0.911852D+01  0.212525D+02 -0.109592D+01  0.265303D+01
      2  -0.331848D+01  0.578554D+01 -0.305007D+01  0.512291D+01  0.204872D+01
      3   0.207676D+01 -0.149041D+02 -0.182024D+02 -0.402699D+01 -0.470176D+01
      4  -0.657221D+01 -0.769001D+00  0.240153D+02  0.191711D+00 -0.324270D-01
      5  -0.618278D+00  0.106429D+02 -0.511436D+00 -0.715717D-01  0.718395D+01
      6   0.655391D+01  0.709831D+00 -0.898957D+00 -0.282724D+01  0.413860D+01
                31            32            33            34            35 
      1  -0.299031D+01  0.181972D+01  0.124687D+01 -0.287478D+01  0.375937D+01
      2   0.519814D+01  0.690445D+01 -0.897144D+00 -0.681578D+00  0.382800D+00
      3  -0.220783D+01 -0.872418D+01 -0.349721D+00  0.355635D+01 -0.414217D+01
      4   0.205184D+02  0.199058D+01  0.195120D+01  0.506879D+00  0.615056D+01
      5   0.369469D+00  0.131801D+01 -0.400004D+00 -0.186764D+02  0.402042D-01
      6  -0.340786D+01  0.658164D+00  0.331461D+01  0.142567D+01 -0.384782D+01
                36            37            38            39            40 
      1  -0.216794D+02  0.229905D+01 -0.177703D+01 -0.247075D+02 -0.276379D+01
      2  -0.658353D+00 -0.123034D+01  0.269299D+01  0.990170D+01  0.126275D+01
      3   0.223378D+02 -0.106871D+01 -0.915959D+00  0.148058D+02  0.150105D+01
      4  -0.217412D+01 -0.186893D+01  0.183668D+01  0.699157D+00  0.565192D+01
      5  -0.164873D+01 -0.188673D+02  0.139645D+01 -0.153516D+01  0.256190D+01
      6  -0.380811D+01  0.476518D+01  0.568431D+01  0.486310D+01  0.653896D+01
                41            42            43            44            45 
      1  -0.904925D+01 -0.148156D+01  0.242335D+02 -0.418551D+01  0.104111D+02
      2   0.944579D+01  0.287950D+01  0.272432D+01  0.170975D+01  0.105205D+01
      3  -0.396533D+00 -0.139794D+01 -0.269579D+02  0.247576D+01 -0.114632D+02
      4   0.195447D+01  0.654704D+01  0.598624D+01  0.519532D+01  0.196806D+01
      5   0.404531D+01  0.227328D+01  0.121714D+02  0.630987D+00 -0.915165D+01
      6   0.357523D+01  0.973380D+01  0.176613D+00  0.439754D+01  0.497176D+01
                46            47            48            49            50 
      1  -0.283693D+01 -0.196661D+01  0.215317D+02  0.606523D+01 -0.111643D+02
      2   0.626320D+01 -0.219131D+00 -0.832301D+01 -0.286493D+01  0.103028D+02
      3  -0.342627D+01  0.218574D+01 -0.132087D+02 -0.320030D+01  0.861499D+00
      4   0.357608D+01  0.119148D+01 -0.205697D+01  0.372832D+01  0.303721D+00
      5   0.212569D+02 -0.165549D+01 -0.652465D+01 -0.584404D+01 -0.364769D+01
      6  -0.434274D+01 -0.334768D+01 -0.763226D-02 -0.346685D+01  0.729087D+01
                51            52            53            54            55 
      1  -0.116527D+02 -0.289016D+02 -0.415607D+01  0.108324D+02 -0.393541D+02
      2   0.854757D+01  0.387841D+01  0.445842D+01  0.638094D+01  0.179068D+02
      3   0.310513D+01  0.250232D+02 -0.302354D+00 -0.172133D+02  0.214472D+02
      4  -0.494684D+01  0.439226D+01 -0.353884D+01  0.205772D+00  0.256758D+01
      5   0.201458D+00  0.966583D+01  0.339810D+00  0.943560D+01  0.173564D+01
      6   0.134053D+02 -0.159891D+01  0.550504D+01  0.198886D+01 -0.596722D+01
                56            57            58            59            60 
      1  -0.814874D+01 -0.204572D+01 -0.454313D+02 -0.254421D+02  0.861799D+01
      2   0.519874D+01  0.157263D+01  0.249768D+02  0.111564D+02 -0.599922D+01
      3   0.295000D+01  0.473087D+00  0.204545D+02  0.142857D+02 -0.261877D+01
      4  -0.187158D+02  0.161431D+01 -0.461116D+02  0.102924D+02  0.103767D+02
      5   0.237667D+01 -0.153921D+02  0.610799D+01  0.107322D+02  0.240379D+02
      6  -0.128204D+01  0.537177D+01  0.317933D+01 -0.708885D+01 -0.103783D+02
                61            62            63            64            65 
      1   0.777018D+01  0.783517D+01 -0.119774D+02 -0.306628D+02  0.950546D+01
      2  -0.946308D-01 -0.392612D+01  0.346258D+01  0.222441D+02 -0.448573D+01
      3  -0.767555D+01 -0.390905D+01  0.851487D+01  0.841876D+01 -0.501974D+01
      4   0.175697D+01  0.123729D+02  0.341726D+02  0.118110D+02  0.264647D+02
      5  -0.317235D+02  0.306574D+02 -0.104300D+02  0.272286D+02 -0.585982D+01
      6   0.146870D+02 -0.117744D+02 -0.815343D+00  0.585959D+01  0.219791D+00
                66            67            68            69            70 
      1   0.288089D+02  0.500452D+02  0.425473D+02 -0.116629D+02  0.303244D+02
      2  -0.146499D+02 -0.201367D+02 -0.174548D+02  0.360593D+01 -0.152634D+02
      3  -0.141590D+02 -0.299084D+02 -0.250924D+02  0.805700D+01 -0.150610D+02
      4  -0.396938D+01  0.470072D+02  0.423682D+01 -0.131180D+02 -0.717665D+01
      5   0.168415D+02 -0.173589D+02 -0.148820D+02 -0.284803D+02  0.324636D+02
      6   0.626127D+01 -0.351148D+01 -0.172334D+01 -0.604829D+01  0.842193D+00
                71            72            73            74            75 
      1  -0.692872D+01  0.386275D+02  0.402025D+02 -0.120739D+02 -0.292240D+02
      2  -0.377639D+01 -0.195504D+02 -0.243036D+02  0.325355D+01  0.136766D+02
      3   0.107051D+02 -0.190771D+02 -0.158990D+02  0.882035D+01  0.155474D+02
      4  -0.140185D+02 -0.265176D+02 -0.176482D+02 -0.380025D+02  0.128335D+02
      5  -0.285241D+02  0.239618D+02 -0.258974D+02  0.141518D+02 -0.256989D+02
      6  -0.416980D+01  0.790568D+01  0.244958D+01  0.647982D+01 -0.880669D+00
                76            77            78            79            80 
      1  -0.247957D+02 -0.465778D+02  0.200018D+02 -0.324054D+02  0.174416D+02
      2   0.568360D+01  0.237691D+02 -0.177406D+01  0.143353D+02 -0.943743D+00
      3   0.191121D+02  0.228087D+02 -0.182277D+02  0.180701D+02 -0.164978D+02
      4  -0.605907D+02 -0.238682D+02  0.325110D+02  0.158096D+02  0.278248D+02
      5   0.203523D+02  0.354434D+02  0.394424D+02 -0.432160D+02  0.396841D+02
      6   0.113007D+02  0.480160D+01 -0.623899D+01  0.481256D+00 -0.578141D+01
                81            82            83            84            85 
      1  -0.394908D+02  0.506986D+02 -0.972018D+01 -0.135706D+02 -0.147360D+02
      2   0.241987D+02 -0.334944D+02 -0.744352D+01  0.163516D+02 -0.104287D+02
      3   0.152920D+02 -0.172042D+02  0.171637D+02 -0.278103D+01  0.251647D+02
      4   0.382047D+02 -0.580085D+01 -0.282055D+02  0.225992D+01 -0.370448D+02
      5  -0.118849D+01 -0.110107D+02  0.493556D+01 -0.168657D+02  0.851822D+01
      6  -0.614923D+01 -0.532852D+01 -0.642802D-02 -0.524653D+01  0.849857D+00
                86            87            88            89            90 
      1  -0.235686D+02 -0.682484D+00 -0.150801D+02 -0.144093D+01 -0.233187D+02
      2  -0.780247D+01 -0.121212D+01  0.184586D+02  0.405694D+01  0.275902D+02
      3   0.313711D+02  0.189461D+01 -0.337845D+01 -0.261601D+01 -0.427154D+01
      4  -0.388671D+02  0.139180D+02  0.343784D+01  0.230997D+02  0.133028D+02
      5   0.107234D+02  0.235623D+02 -0.254921D+02  0.198404D+02 -0.318600D+02
      6   0.616634D+01  0.101349D+02 -0.365699D+01  0.829199D+01 -0.334631D+01
                91            92            93            94            95 
      1   0.879586D+01 -0.160802D+01  0.571500D+00 -0.140612D+02 -0.187810D+02
      2  -0.100740D+02 -0.514033D+01 -0.311425D+01  0.367402D+01  0.389744D+01
      3   0.127810D+01  0.674836D+01  0.254275D+01  0.103872D+02  0.148836D+02
      4  -0.194189D+02 -0.169289D+02 -0.522413D+01 -0.463346D+02  0.906933D+01
      5  -0.494413D+00 -0.446190D+01 -0.586556D+01 -0.399403D+01 -0.100152D+02
      6  -0.184547D+01 -0.788648D+00 -0.348247D+01 -0.422485D+01 -0.216328D+01
                96            97            98            99           100 
      1  -0.153738D+01 -0.104958D+02 -0.374612D+01 -0.781972D+00 -0.228903D+01
      2   0.166781D+01 -0.495728D+01 -0.694138D+00  0.114227D+02  0.219284D+01
      3  -0.130427D+00  0.154530D+02  0.444026D+01 -0.106408D+02  0.961913D-01
      4  -0.100004D+02 -0.106868D+02 -0.200331D+02  0.530010D+00  0.853564D+01
      5  -0.519218D+00 -0.946976D+01  0.156344D+01  0.376299D+02 -0.184977D+02
      6   0.952632D+00 -0.215143D+01  0.269016D+01  0.305953D+01  0.525518D+01
               101           102           103           104           105 
      1   0.295445D+01 -0.820922D+01  0.118461D+02  0.849253D+01  0.527611D+01
      2  -0.355460D-01  0.899232D+01 -0.105103D+02 -0.303959D+01 -0.100779D+02
      3  -0.291891D+01 -0.783101D+00 -0.133581D+01 -0.545294D+01  0.480181D+01
      4   0.365179D+00  0.571660D+01  0.624125D+01 -0.187941D+02  0.168882D+02
      5   0.530911D+01 -0.694158D+01 -0.180894D+01  0.169752D+02  0.149026D+02
      6  -0.444657D+01  0.614886D+01  0.636880D+01 -0.155728D+02 -0.950435D+01
               106           107           108           109           110 
      1  -0.274081D+02  0.607186D+01 -0.983632D+01  0.402493D+02 -0.573971D+01
      2   0.180962D+02 -0.242790D+01  0.116399D+02 -0.258359D+02  0.122694D+01
      3   0.931191D+01 -0.364396D+01 -0.180362D+01 -0.144134D+02  0.451277D+01
      4   0.154839D+02 -0.106456D+02  0.163200D+02 -0.143067D+02  0.164881D+02
      5  -0.289097D+02  0.143770D+02 -0.404759D+02  0.375573D+02 -0.444707D+01
      6   0.120078D+02 -0.176072D+02  0.136843D+02 -0.103121D+02  0.342128D+01
               111           112           113           114           115 
      1   0.270307D+02 -0.309407D+01  0.131250D+01  0.104513D+01  0.424675D+02
      2  -0.194879D+02 -0.831724D+00  0.239306D+01  0.501536D+00 -0.264689D+02
      3  -0.754279D+01  0.392579D+01 -0.370557D+01 -0.154667D+01 -0.159986D+02
      4  -0.852954D+01  0.147764D+02 -0.503261D+01  0.114017D+02 -0.200060D+02
      5   0.270689D+02 -0.617444D+01  0.111965D+02 -0.106294D+02  0.470654D+02
      6  -0.607497D+01  0.455959D+01 -0.586690D+01  0.132379D+02 -0.126723D+02
               116           117           118           119           120 
      1  -0.134550D+01  0.100452D+02  0.133978D+01 -0.141512D+02 -0.104115D+02
      2  -0.415746D+01 -0.309220D+02 -0.898422D+00  0.164308D+02  0.443220D+01
      3   0.550295D+01  0.208768D+02 -0.441361D+00 -0.227959D+01  0.597933D+01
      4   0.322336D+02 -0.142306D+02 -0.300770D+01 -0.493298D+01  0.722679D+01
      5  -0.127571D+02  0.751194D+02 -0.947804D+01  0.228793D+01  0.462203D+01
      6   0.166118D+02 -0.280695D+02  0.506529D+01 -0.289433D+00 -0.327211D+00
               121           122           123           124           125 
      1  -0.772573D+01 -0.965333D+01 -0.540746D+01 -0.125394D+02 -0.736746D+01
      2   0.139096D+02 -0.482720D+01  0.118503D+02  0.186310D+00  0.214561D+02
      3  -0.618389D+01  0.144805D+02 -0.644283D+01  0.123531D+02 -0.140886D+02
      4  -0.573550D+01  0.328132D+02 -0.219528D+02  0.208061D+02 -0.375711D+02
      5   0.953447D+01 -0.222108D+02 -0.670901D+01  0.130948D+02 -0.163988D+02
      6  -0.607266D+01  0.220147D+02  0.113158D+02 -0.529638D+01  0.179198D+02
               126           127           128           129           130 
      1  -0.445734D+01  0.111219D+01  0.193019D+01 -0.400381D+01 -0.101668D+01
      2  -0.828584D+00 -0.653515D+01 -0.899662D+00 -0.596011D+01  0.172142D+01
      3   0.528592D+01  0.542296D+01 -0.103053D+01  0.996392D+01 -0.704744D+00
      4  -0.141954D+02 -0.576028D+01  0.455844D+01 -0.526717D+01  0.132209D+01
      5  -0.237933D+02  0.172515D+02 -0.304093D+01  0.175143D+02 -0.291256D+01
      6   0.182553D+02 -0.629038D+01  0.422577D+01 -0.714251D+01  0.185919D+01
               131           132           133           134           135 
      1  -0.164555D+01  0.168661D+01 -0.488952D+01  0.458465D+01 -0.209550D+02
      2  -0.902793D-01  0.104875D+01 -0.736534D+01 -0.874959D+00 -0.118041D+02
      3   0.173583D+01 -0.273536D+01  0.122549D+02 -0.370969D+01  0.327590D+02
      4  -0.166496D+01  0.235826D+01 -0.464422D+01  0.444547D+01 -0.654538D+01
      5   0.240808D+01 -0.364565D+01  0.180315D+02 -0.369711D+01  0.260047D+02
      6  -0.144503D+01  0.341159D+01 -0.702300D+01  0.803226D+01 -0.144573D+02
               136           137           138           139           140 
      1  -0.240285D+01 -0.324098D+00  0.615003D+01 -0.506124D+00 -0.161848D+01
      2  -0.567783D+01  0.196313D+00  0.609942D+01  0.508245D-02 -0.363846D+00
      3   0.808068D+01  0.127785D+00 -0.122494D+02  0.501042D+00  0.198232D+01
      4   0.280453D+01  0.225457D+01 -0.267062D+01  0.397462D+00 -0.118426D+00
      5  -0.117706D+02 -0.761179D+00  0.149085D+02  0.889651D-02 -0.140861D+01
      6  -0.283339D+01 -0.230947D+01  0.321054D+01 -0.429278D+00 -0.424380D+00
               141           142           143           144           145 
      1   0.827925D+00  0.800044D+01  0.301557D+01 -0.322999D+02  0.363958D+01
      2   0.278754D+00  0.639963D+01 -0.873397D+00 -0.162116D+02 -0.497773D+01
      3  -0.110668D+01 -0.144001D+02 -0.214217D+01  0.485115D+02  0.133815D+01
      4  -0.101704D+01 -0.311697D+01 -0.310562D+01  0.413634D+01  0.604240D+00
      5  -0.180146D+00  0.143584D+02  0.156105D+01 -0.231345D+02  0.109672D+02
      6   0.256730D+01  0.451842D+01  0.754701D+01 -0.122461D+02  0.144426D+01
               146           147           148           149           150 
      1  -0.600839D+00 -0.205651D+01 -0.736016D+00 -0.529370D+00  0.141218D+01
      2   0.718767D+00 -0.393990D+01  0.516479D+00 -0.449608D+00  0.580596D+00
      3  -0.117927D+00  0.599642D+01  0.219538D+00  0.978978D+00 -0.199277D+01
      4   0.328578D+01  0.697969D+00  0.161538D+01 -0.112378D+01  0.585674D+00
      5  -0.101738D+01  0.103308D+02 -0.116620D+01  0.200404D+01 -0.194391D+01
      6   0.168633D+01  0.154031D+01  0.209228D+00 -0.817872D+00  0.111264D+01
               151           152           153           154           155 
      1  -0.352732D+01  0.692467D+00 -0.156229D+02  0.517754D+00  0.147009D+01
      2  -0.537024D+01  0.915884D+00 -0.900569D+01 -0.520049D+01 -0.108368D+01
      3   0.889757D+01 -0.160835D+01  0.246286D+02  0.468274D+01 -0.386412D+00
      4   0.121157D+01  0.310852D+01  0.127058D+01 -0.165123D+01  0.231433D+01
      5   0.131759D+02 -0.947120D+00  0.177503D+02 -0.982907D+01  0.525549D+00
      6   0.219435D+01  0.459058D+01  0.378967D+01  0.329161D+01 -0.198234D+01
               156           157           158           159           160 
      1   0.317309D+01 -0.106047D+01 -0.158524D+01  0.124969D+01  0.340212D+01
      2   0.496239D+01  0.594388D+00 -0.213697D+00 -0.361581D-01  0.677321D+01
      3  -0.813547D+01  0.466082D+00  0.179893D+01 -0.121353D+01 -0.101753D+02
      4   0.222009D+01  0.122355D+01 -0.637601D+00 -0.118825D+01  0.163562D+01
      5   0.125314D+02  0.604557D+00 -0.189599D+01 -0.786293D+00  0.136292D+02
      6  -0.433750D+01 -0.125848D+01  0.151180D+00  0.191779D+01 -0.388728D+01
               161           162           163           164           165 
      1  -0.192980D+01 -0.248171D+02  0.125025D+02 -0.503032D+01 -0.647798D+01
      2   0.121631D+01 -0.129698D+02 -0.457854D+01  0.724148D+00  0.266924D+01
      3   0.713497D+00  0.377869D+02 -0.792394D+01  0.430617D+01  0.380874D+01
      4  -0.297756D+01 -0.285663D+01 -0.121266D+02  0.154322D+02  0.639004D+01
      5  -0.459773D+00 -0.211429D+02 -0.110641D+02  0.500916D+01  0.879422D+01
      6   0.631801D+01  0.105511D+02  0.502565D+01 -0.228321D+01 -0.271442D+01
               166           167           168           169           170 
      1  -0.406230D+01 -0.369929D+01 -0.344219D+01 -0.227631D+02 -0.566407D+01
      2  -0.217798D+01  0.129422D+02  0.556644D+01  0.985637D+01  0.679613D+01
      3   0.624028D+01 -0.924294D+01 -0.212425D+01  0.129067D+02 -0.113206D+01
      4   0.232463D+02 -0.312472D+02 -0.167294D+02  0.155620D+02 -0.247368D+02
      5   0.823980D+01 -0.152084D+02 -0.133130D+02  0.203484D+02 -0.179375D+02
      6  -0.591887D+01  0.124574D+02  0.106720D+02 -0.968106D+01  0.126386D+02
               171           172           173           174           175 
      1   0.132162D+00  0.177258D+02 -0.398612D+01  0.870305D+01 -0.765667D-01
      2  -0.119780D+01 -0.890226D+01 -0.119074D+00 -0.453567D+01 -0.234286D+01
      3   0.106564D+01 -0.882358D+01  0.410519D+01 -0.416738D+01  0.241942D+01
      4  -0.208666D+02 -0.118814D+02  0.151050D+02 -0.854866D+01  0.138264D+02
      5  -0.206064D+02  0.151293D+02 -0.701935D+01  0.137128D+02 -0.547830D+01
      6   0.121689D+02 -0.491938D+01  0.263317D+01 -0.357054D+01  0.381630D+01
               176           177           178           179           180 
      1   0.970367D+00  0.946225D+00  0.219187D+02  0.746623D+00  0.158426D+01
      2   0.379496D+01 -0.229440D+01 -0.108435D+02 -0.292047D+01 -0.344654D+01
      3  -0.476533D+01  0.134817D+01 -0.110752D+02  0.217385D+01  0.186228D+01
      4  -0.157209D+02  0.868618D+01 -0.140015D+02  0.178578D+02 -0.181885D+02
      5   0.824953D+01 -0.897508D+01  0.184922D+02 -0.161183D+02  0.276253D+02
      6  -0.546847D+01  0.781784D+01 -0.675564D+01  0.935146D+01 -0.103746D+02
               181           182           183           184           185 
      1  -0.117068D+02  0.300588D+01 -0.150573D+02  0.194306D+01 -0.153426D+02
      2   0.352729D+01 -0.167978D+01  0.509535D+01 -0.164524D+01  0.910918D+01
      3   0.817956D+01 -0.132609D+01  0.996190D+01 -0.297822D+00  0.623344D+01
      4  -0.250680D+01 -0.562596D+01  0.820250D+00 -0.229829D+01  0.740500D+01
      5  -0.784124D+01  0.127042D+01 -0.542914D+01  0.674312D+00 -0.526776D+01
      6  -0.438679D+01  0.182476D+01 -0.476544D+01  0.186921D+01 -0.573784D+01
               186           187           188           189           190 
      1   0.807549D+01 -0.276086D+02  0.792927D+01 -0.247812D+02  0.121335D+02
      2  -0.384870D+01  0.114550D+02 -0.190257D+01 -0.133697D+00 -0.817854D+01
      3  -0.422679D+01  0.161536D+02 -0.602670D+01  0.249149D+02 -0.395494D+01
      4  -0.500744D+01 -0.436435D+00 -0.841383D+01  0.100552D+02 -0.923677D+01
      5   0.133419D+02 -0.143402D+01  0.115121D+02 -0.328073D+02 -0.120955D+02
      6   0.101591D+02 -0.262681D+01  0.802232D+01 -0.135349D+02  0.261696D+01
               191           192           193           194           195 
      1  -0.948014D+01 -0.102086D+02 -0.260093D+02  0.124793D+02  0.699462D+01
      2   0.576634D+01  0.685859D+01  0.161350D+02 -0.733961D+01 -0.971577D+01
      3   0.371380D+01  0.334996D+01  0.987424D+01 -0.513971D+01  0.272114D+01
      4   0.111055D+02  0.580568D+01  0.227583D+02 -0.301806D+02 -0.257692D+02
      5   0.679930D+01  0.156403D+02  0.178666D+02 -0.266503D+02 -0.340177D+02
      6  -0.179614D+01 -0.116000D+01 -0.456667D+01  0.818778D+01  0.822412D+01
               196           197           198           199           200 
      1  -0.265870D+02  0.414426D+01  0.151712D+02  0.477801D+02 -0.106577D+02
      2   0.192023D+02 -0.739701D+01 -0.221321D+02 -0.236628D+02  0.518576D+01
      3   0.738462D+01  0.325275D+01  0.696098D+01 -0.241172D+02  0.547193D+01
      4   0.113812D+02 -0.285183D+02 -0.266693D+02 -0.951156D+01  0.147541D+02
      5   0.340414D+02 -0.279765D+02 -0.515162D+02  0.211452D+02 -0.745577D+01
      6  -0.274994D+01  0.871951D+01  0.758193D+01 -0.676802D+00 -0.824017D+00
               201           202           203           204           205 
      1   0.231608D+02 -0.229304D+02  0.165865D+02 -0.997113D+01  0.597952D+02
      2  -0.105482D+02  0.113284D+02 -0.689028D+01  0.337488D+01 -0.304549D+02
      3  -0.126126D+02  0.116020D+02 -0.969621D+01  0.659626D+01 -0.293403D+02
      4  -0.743428D+01  0.208779D+02 -0.126775D+02  0.690442D+01 -0.123536D+02
      5   0.221800D+02 -0.993388D+01  0.656819D+01 -0.171057D+02  0.331199D+02
      6   0.326350D+00 -0.154438D+00 -0.146366D+01  0.286288D+01 -0.159762D+00
               206           207           208           209           210 
      1  -0.125484D+02  0.281009D+02  0.498857D+02  0.271158D+02 -0.884247D+01
      2   0.511428D+01 -0.165315D+02 -0.220497D+02 -0.112175D+02  0.527464D+01
      3   0.743411D+01 -0.115694D+02 -0.278360D+02 -0.158984D+02  0.356783D+01
      4   0.161549D+02 -0.147466D+02  0.341082D+02  0.324527D+02 -0.995526D+01
      5  -0.152655D+02  0.421988D+02 -0.148321D+02 -0.112745D+02  0.147428D+02
      6   0.254795D+01  0.296475D+00 -0.602946D+01 -0.492885D+01  0.299592D+01
               211           212           213           214           215 
      1   0.609783D+02  0.317821D+02 -0.129351D+02 -0.116309D+02 -0.760080D+01
      2  -0.249650D+02 -0.585708D+01  0.669172D+01  0.722537D+01  0.331253D+01
      3  -0.360133D+02 -0.259250D+02  0.624336D+01  0.440558D+01  0.428827D+01
      4   0.546126D+02  0.624520D+02 -0.184733D+02 -0.124829D+02 -0.157033D+02
      5  -0.231699D+02 -0.194399D+02  0.172065D+02  0.219123D+02  0.868287D+01
      6  -0.985224D+01 -0.117388D+02  0.834590D+01  0.495984D+01  0.727402D+01
               216           217           218           219           220 
      1   0.128844D+02  0.116118D+02 -0.136860D+01  0.114228D+02 -0.798993D+01
      2  -0.809457D+01 -0.966373D+01  0.392909D+01 -0.126180D+02  0.761049D+01
      3  -0.478979D+01 -0.194805D+01 -0.256049D+01  0.119517D+01  0.379448D+00
      4   0.814962D+01  0.328088D+01  0.936302D+01  0.305417D+01  0.488012D+01
      5  -0.134926D+02  0.186190D+02  0.217392D+00  0.241132D+02 -0.741193D+01
      6  -0.409365D+01  0.347408D+01  0.227242D+01  0.516242D+01  0.611671D+00
               221           222           223           224           225 
      1   0.322216D+01 -0.272181D+01  0.164216D+02 -0.264270D+01  0.322640D+01
      2  -0.183783D+01  0.699344D+01 -0.161669D+02  0.556771D+01 -0.237574D+02
      3  -0.138432D+01 -0.427163D+01 -0.254667D+00 -0.292501D+01  0.205310D+02
      4  -0.163746D+01  0.376497D+01  0.522920D+01  0.899912D+01  0.259013D+01
      5   0.537597D+01 -0.164243D+02  0.246548D+02 -0.900112D+00  0.532866D+02
      6  -0.185569D+01  0.253454D+00  0.562353D+01  0.485065D+01  0.138134D+02
               226           227           228           229           230 
      1  -0.543557D+02  0.138764D+02  0.122328D+02  0.712111D+01 -0.101983D+02
      2   0.300609D+02 -0.128056D+02 -0.668301D+01 -0.526675D+01  0.103258D+02
      3   0.242949D+02 -0.107074D+01 -0.554981D+01 -0.185436D+01 -0.127534D+00
      4  -0.146095D+02 -0.491562D+01 -0.161082D+01  0.224352D+01  0.378893D+01
      5  -0.944611D+00 -0.405748D+01 -0.398941D+01 -0.112685D+01 -0.516357D+00
      6   0.303648D+01 -0.538867D+01 -0.536239D+01 -0.361345D+01  0.184336D+01
               231           232           233           234           235 
      1  -0.393143D+01  0.978727D+01 -0.273047D+01 -0.575106D+01  0.131369D+02
      2   0.234990D+01 -0.542563D+01  0.115248D+01  0.118215D+00  0.243512D+01
      3   0.158153D+01 -0.436163D+01  0.157799D+01  0.563285D+01 -0.155720D+02
      4  -0.112981D+01  0.139113D+01 -0.221265D+01 -0.995264D+00  0.266422D+02
      5  -0.198752D+01  0.265225D+01 -0.230416D+00  0.545143D+01  0.224212D+01
      6   0.178927D+01 -0.323423D+01  0.290117D+01  0.328982D+01  0.169219D+01
               236           237           238           239           240 
      1   0.112969D+02 -0.532839D+00  0.141952D+02 -0.232549D+01 -0.127324D+01
      2   0.777025D+01 -0.138112D+01  0.852374D+01  0.387498D+02 -0.102089D+01
      3  -0.190671D+02  0.191396D+01 -0.227190D+02 -0.364243D+02  0.229413D+01
      4   0.338688D+02  0.299313D+00  0.396341D+02  0.705892D+02 -0.955599D+00
      5   0.235754D+01  0.828748D+01  0.216568D+01  0.216084D+01  0.758215D+01
      6   0.231057D+01  0.387712D+01  0.187367D+01  0.506200D+01  0.727739D+01
               241           242           243           244           245 
      1  -0.541134D+01 -0.369328D+00  0.276902D+01  0.213629D+01  0.123191D+01
      2  -0.860875D+00 -0.630045D+01 -0.957074D-01 -0.601250D+01  0.239796D-01
      3   0.627221D+01  0.666978D+01 -0.267332D+01  0.387621D+01 -0.125589D+01
      4  -0.772745D+01 -0.143582D+02  0.663791D+01  0.272075D+01  0.549867D+01
      5   0.751300D+01  0.506679D+01 -0.913463D+00 -0.139247D+02  0.683164D+00
      6   0.381203D+01  0.620447D+01 -0.215506D+01 -0.107615D+01 -0.152045D+00
               246           247           248           249           250 
      1  -0.791590D+01  0.948997D+00  0.133603D+01  0.154102D+00 -0.111901D+02
      2   0.673194D+01  0.412092D+00 -0.120987D+01 -0.128130D+01  0.109415D+02
      3   0.118396D+01 -0.136109D+01 -0.126163D+00  0.112720D+01  0.248591D+00
      4  -0.313331D+00  0.867826D+01 -0.141386D+01 -0.447630D+01 -0.230635D+01
      5   0.134689D+02  0.541157D+00 -0.494420D+01 -0.739612D-01  0.193383D+02
      6   0.108059D+01 -0.133097D+01 -0.647139D+00  0.531059D+01  0.854477D+00
               251           252           253           254           255 
      1   0.545080D+00 -0.458094D+01 -0.862775D+02 -0.109409D+02  0.805278D+01
      2  -0.905511D+00 -0.174035D+02  0.473877D+02  0.150478D+02 -0.593026D+01
      3   0.360430D+00  0.219845D+02  0.388898D+02 -0.410689D+01 -0.212252D+01
      4  -0.912242D+01  0.177826D+01 -0.179898D+02  0.259923D+02  0.272154D+01
      5   0.494934D+00 -0.454399D+02  0.117234D+02  0.991232D-01  0.951311D+01
      6   0.419382D+01 -0.443205D+01  0.639706D+01  0.109553D+00  0.502069D+01
               256           257           258           259           260 
      1   0.164695D+02  0.328363D+02 -0.565951D+01  0.185624D+02 -0.580607D+01
      2   0.306437D+01 -0.255998D+02  0.111201D+02 -0.527923D+01  0.152946D+02
      3  -0.195338D+02 -0.723643D+01 -0.546055D+01 -0.132832D+02 -0.948852D+01
      4   0.394525D+02 -0.173678D+01  0.170250D+02  0.110057D+02  0.231477D+02
      5   0.438507D+01  0.190653D+02 -0.481914D+01  0.112549D+02 -0.863129D+01
      6   0.415590D+01  0.140064D+02 -0.184797D+01  0.488982D+01 -0.394948D+01
               261           262           263           264           265 
      1   0.171028D+02  0.507758D+01 -0.772186D+01  0.396198D+00 -0.467581D+01
      2  -0.639328D+01  0.417933D+01 -0.429034D+01  0.329609D+00 -0.895759D+01
      3  -0.107096D+02 -0.925691D+01  0.120122D+02 -0.725807D+00  0.136334D+02
      4  -0.391071D+01 -0.155968D+02  0.228382D+02 -0.960486D+00  0.268481D+02
      5  -0.295056D+02 -0.867341D+00  0.148782D+00  0.284629D+01  0.142907D-01
      6  -0.142291D+02 -0.270301D+00  0.241417D+00 -0.881397D+00  0.531283D+00
               266           267           268           269           270 
      1  -0.122757D+02 -0.243248D+00  0.202459D+01  0.318591D+01 -0.166591D+01
      2   0.439505D+02 -0.196020D+01  0.424672D+01 -0.166260D+02  0.446841D+01
      3  -0.316749D+02  0.220345D+01 -0.627131D+01  0.134401D+02 -0.280251D+01
      4  -0.671326D+02  0.188010D+01 -0.121143D+02  0.284660D+02 -0.761547D+01
      5  -0.262350D+00 -0.897900D+01  0.339472D+01 -0.679381D+01  0.238831D+01
      6  -0.851140D+00  0.625886D+01 -0.297688D+01  0.849704D+01 -0.283149D+01
               271           272           273           274           275 
      1   0.581896D+01  0.306846D+01  0.532837D+01 -0.189987D+01 -0.690486D+01
      2  -0.527276D+01 -0.345190D+01 -0.204372D+01  0.152799D+00  0.556878D+01
      3  -0.546202D+00  0.383439D+00 -0.328465D+01  0.174707D+01  0.133608D+01
      4   0.848042D+00 -0.336435D+01  0.757210D+00 -0.111008D+01  0.228115D+01
      5   0.302982D+01 -0.522156D+00 -0.377026D+00  0.593655D+00  0.334739D+01
      6   0.140916D+01 -0.115278D+01 -0.155225D+01  0.108677D+00  0.230487D+01
               276           277           278           279           280 
      1  -0.221488D+01  0.135672D+02 -0.307168D+01 -0.125225D+02  0.130176D+03
      2   0.137505D+01 -0.636001D+01  0.398980D+01 -0.306154D+01 -0.613252D+02
      3   0.839827D+00 -0.720722D+01 -0.918114D+00  0.155841D+02 -0.688511D+02
      4   0.326865D+01  0.103987D+02  0.142084D+02  0.900205D+01  0.498591D+02
      5   0.535492D+01  0.800891D+01  0.103145D+02  0.413168D+02 -0.487879D+01
      6   0.638088D+01  0.230049D+01  0.962170D+01  0.228895D+02 -0.226829D+01
               281           282           283           284           285 
      1   0.129195D+02 -0.510068D+01 -0.721108D+01  0.625519D+01  0.790485D+00
      2  -0.115212D+01  0.276818D+01  0.632720D+01 -0.684222D+00 -0.154202D+01
      3  -0.117674D+02  0.233251D+01  0.883879D+00 -0.557097D+01  0.751539D+00
      4   0.222189D+02 -0.962343D+00  0.106716D+02  0.397615D+01 -0.208855D+01
      5  -0.164898D+00  0.137135D+02 -0.403023D-01 -0.237644D+01 -0.556143D-01
      6   0.235287D+00  0.415144D+01 -0.129814D+00 -0.102868D+01  0.849132D+00
               286           287           288           289           290 
      1  -0.130405D+02 -0.701998D+00  0.867602D+01  0.900054D+00  0.132077D+02
      2   0.642051D+01 -0.151834D+01 -0.550460D+01  0.148834D+01 -0.144171D+02
      3   0.661999D+01  0.222034D+01 -0.317142D+01 -0.238839D+01  0.120942D+01
      4  -0.622076D+01 -0.511974D+01  0.448300D+01  0.263916D+01 -0.881164D+01
      5   0.148772D+02  0.285065D+01 -0.723346D+00 -0.290129D+01  0.164438D+01
      6   0.378515D+01  0.214812D+01  0.525709D+00 -0.219731D+01  0.210484D+01
               291           292           293           294           295 
      1  -0.468775D+01  0.101832D+02 -0.295693D+02  0.656869D+01 -0.840021D+01
      2   0.360843D+01 -0.465586D+01  0.472600D+02 -0.949568D+01  0.292204D+01
      3   0.107932D+01 -0.552730D+01 -0.176906D+02  0.292700D+01  0.547817D+01
      4  -0.206615D+00  0.886634D+01  0.446124D+02 -0.102319D+02 -0.687886D+01
      5  -0.291404D+01 -0.653192D+00 -0.125473D+02  0.971886D+01  0.161358D+01
      6  -0.310032D+01 -0.452502D+00 -0.102713D+02  0.917051D+01  0.268122D+00
               296           297 
      1   0.908428D+01 -0.810082D+01
      2  -0.143808D+02  0.693267D+01
      3   0.529654D+01  0.116815D+01
      4  -0.200992D+02  0.850447D+01
      5   0.104241D+02 -0.547654D+01
      6   0.103765D+02 -0.608683D+01
 Leave Link  716 at Mon Sep 27 22:16:42 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.227257D+03 -0.874193D+00  0.542151D+00
      2  -0.874193D+00  0.139789D+03  0.210039D+00
      3   0.542151D+00  0.210039D+00  0.157892D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.711088D+01 -0.307138D+01  0.230729D+02
      2  -0.457534D+02  0.431877D+01  0.447473D+02
      3  -0.104581D+03 -0.323612D+02 -0.152009D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.252228D+03  0.380056D+02 -0.791349D+02
      2  -0.138030D+03 -0.473321D+01  0.354270D+02
      3  -0.114198D+03 -0.332724D+02  0.437079D+02
      4  -0.397870D+02  0.586123D+02  0.991297D+01
      5  -0.494484D+02  0.609602D+01  0.959470D+02
      6   0.722517D+01  0.125790D+02 -0.506072D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110189D+02  0.757294D+00  0.936774D-01  0.164221D+01  0.220875D+01
      2   0.757294D+00  0.147501D+01 -0.864194D-01  0.220875D+01 -0.164718D+01
      3   0.936774D-01 -0.864194D-01  0.319494D+01  0.825515D+00  0.339161D+01
                 6             7             8             9            10 
      1   0.825515D+00  0.139382D+02  0.701505D+00 -0.154477D+01  0.324534D+02
      2   0.339161D+01  0.701505D+00  0.138792D+01  0.429386D+00  0.110749D+01
      3  -0.287465D+00 -0.154477D+01  0.429386D+00  0.182897D+00 -0.156029D+01
                11            12            13            14            15 
      1   0.110749D+01 -0.156029D+01 -0.166327D+01  0.495139D+01  0.468579D+00
      2   0.151743D+01 -0.250620D+00  0.495139D+01 -0.947309D+00 -0.171556D+00
      3  -0.250620D+00  0.336169D+01  0.468579D+00 -0.171556D+00 -0.827321D+00
                16            17            18            19            20 
      1  -0.369803D+01  0.407162D+00  0.962546D+00  0.131559D+02 -0.662105D+00
      2   0.407162D+00 -0.403205D+00 -0.782743D+00 -0.662105D+00 -0.162157D+01
      3   0.962546D+00 -0.782743D+00  0.771392D+00 -0.273943D+00  0.108079D+01
                21            22            23            24            25 
      1  -0.273943D+00 -0.534728D+00 -0.208713D+01  0.535434D+00  0.122949D+02
      2   0.108079D+01 -0.208713D+01 -0.487802D+00  0.350152D+01 -0.104594D+01
      3  -0.257217D+01  0.535434D+00  0.350152D+01  0.448740D+00  0.138355D+01
                26            27            28            29            30 
      1  -0.104594D+01  0.138355D+01 -0.297409D+02 -0.114151D+00  0.556578D+00
      2   0.209688D+01  0.187604D+00 -0.114151D+00 -0.136406D+01 -0.370569D-01
      3   0.187604D+00  0.564482D+00  0.556578D+00 -0.370569D-01 -0.275101D+01
                31            32            33            34            35 
      1   0.297997D+01 -0.539103D+01 -0.179610D-01  0.145770D+01 -0.161534D+00
      2  -0.539103D+01  0.673384D+00 -0.876371D-01 -0.161534D+00 -0.729746D+00
      3  -0.179610D-01 -0.876371D-01  0.261981D+00 -0.651687D+00 -0.356833D+00
                36            37            38            39            40 
      1  -0.651687D+00  0.871040D+01 -0.314224D+00 -0.481910D+00  0.432776D+00
      2  -0.356833D+00 -0.314224D+00 -0.152326D+01 -0.787677D+00 -0.160696D+01
      3   0.111797D+01 -0.481910D+00 -0.787677D+00 -0.254711D+01 -0.477552D+00
                41            42            43            44            45 
      1  -0.160696D+01 -0.477552D+00 -0.136898D+02  0.602493D+00  0.457304D+00
      2   0.618402D+00 -0.296763D+01  0.602493D+00 -0.141802D+01 -0.119077D+00
      3  -0.296763D+01 -0.271301D-01  0.457304D+00 -0.119077D+00 -0.108289D+01
                46            47            48            49            50 
      1  -0.104044D+02  0.143795D+00  0.502251D+00  0.198832D+01  0.137496D+01
      2   0.143795D+00  0.128793D+01  0.668692D-01  0.137496D+01 -0.350615D+00
      3   0.502251D+00  0.668692D-01  0.135779D+01 -0.719605D+00 -0.339504D+01
                51            52            53            54            55 
      1  -0.719605D+00 -0.111919D+02 -0.364568D+00 -0.574843D+00 -0.162994D+02
      2  -0.339504D+01 -0.364568D+00 -0.162425D+01  0.446535D-01 -0.187774D+01
      3  -0.727064D+00 -0.574843D+00  0.446535D-01 -0.758500D+00  0.522691D+00
                56            57            58            59            60 
      1  -0.187774D+01  0.522691D+00 -0.747767D+01 -0.670632D+01  0.385009D+00
      2  -0.281173D+01  0.333923D+00 -0.670632D+01  0.621914D+00  0.141599D+01
      3   0.333923D+00 -0.210584D+01  0.385009D+00  0.141599D+01  0.317947D+01
                61            62            63            64            65 
      1   0.482166D+01  0.517987D+00 -0.400603D+01  0.948083D+00  0.227316D+01
      2   0.517987D+00  0.191163D+01  0.411797D+01  0.227316D+01  0.346015D+01
      3  -0.400603D+01  0.411797D+01 -0.113729D+01  0.266628D+01 -0.896929D+00
                66            67            68            69            70 
      1   0.266628D+01  0.121056D+02  0.650646D+01 -0.191029D+01  0.722931D+00
      2  -0.896929D+00  0.650646D+01  0.792194D+00 -0.165792D+01 -0.108265D+01
      3   0.253615D+01 -0.191029D+01 -0.165792D+01 -0.344228D+01  0.391182D+01
                71            72            73            74            75 
      1  -0.108265D+01  0.391182D+01  0.363412D+01 -0.138510D+01 -0.228041D+01
      2  -0.201829D+01 -0.376204D+01 -0.138510D+01 -0.346665D+01  0.115815D+01
      3  -0.376204D+01  0.350323D+01 -0.228041D+01  0.115815D+01 -0.242756D+01
                76            77            78            79            80 
      1  -0.366057D+01 -0.564389D+01  0.153761D+01 -0.221503D+01  0.127763D+01
      2  -0.564389D+01 -0.208008D+01  0.310359D+01  0.127763D+01  0.277969D+01
      3   0.153761D+01  0.310359D+01  0.358977D+01 -0.391418D+01  0.379923D+01
                81            82            83            84            85 
      1  -0.391418D+01  0.555752D+01 -0.247660D+01 -0.190111D+01 -0.410194D+01
      2   0.379923D+01 -0.247660D+01 -0.317426D+01  0.898073D+00 -0.417408D+01
      3  -0.112284D+00 -0.190111D+01  0.898073D+00 -0.207282D+01  0.144911D+01
                86            87            88            89            90 
      1  -0.417408D+01  0.144911D+01 -0.173682D+01  0.113785D+01 -0.272905D+01
      2  -0.410226D+01  0.185523D+01  0.113785D+01  0.296300D+01  0.247786D+01
      3   0.185523D+01  0.278164D+01 -0.272905D+01  0.247786D+01 -0.350037D+01
                91            92            93            94            95 
      1   0.575853D+01  0.211454D+01 -0.341618D+00 -0.104154D+00  0.626439D+01
      2   0.211454D+01  0.213720D+01  0.762840D+00  0.626439D+01 -0.256778D+01
      3  -0.341618D+00  0.762840D+00  0.948539D+00  0.445308D+00  0.131014D+01
                96            97            98            99           100 
      1   0.445308D+00  0.353524D+01  0.505356D+00  0.140034D+01  0.254558D+01
      2   0.131014D+01  0.505356D+00  0.301587D+01 -0.365878D+00 -0.130221D+01
      3  -0.265816D+00  0.140034D+01 -0.365878D+00 -0.490717D+01  0.195198D+01
               101           102           103           104           105 
      1  -0.130221D+01  0.195198D+01 -0.441311D+00 -0.189861D+01 -0.175549D+00
      2   0.256675D-01 -0.691299D+00 -0.189861D+01  0.345417D+01 -0.234071D+01
      3  -0.691299D+00  0.896394D+00 -0.175549D+00 -0.234071D+01 -0.337128D+00
               106           107           108           109           110 
      1   0.291445D+01 -0.193290D+01  0.239930D+01 -0.489235D+01  0.950863D+00
      2  -0.193290D+01  0.591969D+00 -0.174963D+01  0.950863D+00 -0.113230D+01
      3   0.239930D+01 -0.174963D+01  0.452473D+01 -0.394545D+01  0.466015D+00
               111           112           113           114           115 
      1  -0.394545D+01  0.605723D+00 -0.114945D+01  0.642388D+00 -0.844566D+01
      2   0.466015D+00 -0.114945D+01  0.203292D+00 -0.147943D+01  0.256862D+01
      3  -0.214612D+01  0.642388D+00 -0.147943D+01  0.920238D+00 -0.443711D+01
               116           117           118           119           120 
      1   0.256862D+01 -0.443711D+01  0.689960D+00  0.521687D+00  0.132133D+01
      2  -0.426719D+01  0.165768D+01  0.521687D+00  0.220783D+01 -0.216902D+00
      3   0.165768D+01 -0.931101D+01  0.132133D+01 -0.216902D+00  0.120751D+00
               121           122           123           124           125 
      1   0.876790D+00  0.185110D+01 -0.779612D+00  0.349059D+01 -0.209947D+01
      2   0.185110D+01 -0.410948D+01  0.325648D+01 -0.209947D+01  0.566433D+01
      3  -0.779612D+00  0.325648D+01  0.243701D+00 -0.671704D+00  0.214336D+01
               126           127           128           129           130 
      1  -0.671704D+00  0.342373D+01 -0.387155D+00  0.266878D+01 -0.119214D+01
      2   0.214336D+01 -0.387155D+00  0.510243D+00 -0.557023D+00  0.153656D+00
      3   0.324183D+01  0.266878D+01 -0.557023D+00  0.288211D+01 -0.564958D+00
               131           132           133           134           135 
      1   0.153656D+00 -0.564958D+00  0.305793D+01 -0.476274D+00  0.336129D+01
      2  -0.229428D+00  0.207544D+00 -0.476274D+00  0.101995D+01 -0.103913D+01
      3   0.207544D+00 -0.695127D+00  0.336129D+01 -0.103913D+01  0.664514D+01
               136           137           138           139           140 
      1  -0.231485D+01 -0.879526D-01  0.227292D+01  0.173577D+00  0.856802D-01
      2  -0.879526D-01 -0.209055D+00  0.871408D-01  0.856802D-01 -0.565133D-01
      3   0.227292D+01  0.871408D-01 -0.260934D+01 -0.801947D-01  0.128852D+00
               141           142           143           144           145 
      1  -0.801947D-01  0.238755D+01  0.269862D+00 -0.308126D+01 -0.363519D+01
      2   0.128852D+00  0.269862D+00  0.937888D+00 -0.571953D+00  0.479594D+00
      3  -0.263486D+00 -0.308126D+01 -0.571953D+00  0.851294D+01 -0.201378D+01
               146           147           148           149           150 
      1   0.479594D+00 -0.201378D+01  0.793672D+00 -0.136570D+00  0.445823D+00
      2  -0.545773D+00  0.210457D+00 -0.136570D+00  0.152221D+00 -0.167448D+00
      3   0.210457D+00 -0.201991D+01  0.445823D+00 -0.167448D+00  0.511915D+00
               151           152           153           154           155 
      1  -0.286889D+01  0.238809D+00 -0.288230D+01  0.231934D+01  0.630579D-01
      2   0.238809D+00 -0.902333D+00  0.392054D+00  0.630579D-01  0.232782D+00
      3  -0.288230D+01  0.392054D+00 -0.557643D+01 -0.211284D+01  0.190221D+00
               156           157           158           159           160 
      1  -0.211284D+01 -0.221299D+00 -0.415312D-01  0.143772D+00 -0.265166D+01
      2   0.190221D+00 -0.415312D-01 -0.645851D-01 -0.137653D+00 -0.924968D-01
      3   0.230537D+01  0.143772D+00 -0.137653D+00  0.118152D+00  0.303357D+01
               161           162           163           164           165 
      1  -0.924968D-01  0.303357D+01  0.260849D+01 -0.107154D+01 -0.131836D+01
      2  -0.885876D+00 -0.194585D+00 -0.107154D+01  0.141167D+01  0.525026D+00
      3  -0.194585D+00 -0.786728D+01 -0.131836D+01  0.525026D+00  0.735750D+00
               166           167           168           169           170 
      1  -0.163195D+01  0.243312D+01  0.973054D+00 -0.640779D+01  0.986668D+00
      2   0.243312D+01 -0.421139D+01 -0.228877D+01  0.986668D+00 -0.331295D+01
      3   0.973054D+00 -0.228877D+01 -0.193984D+01  0.245167D+01 -0.262396D+01
               171           172           173           174           175 
      1   0.245167D+01  0.254775D+01 -0.880478D+00  0.161828D+01 -0.217100D+00
      2  -0.262396D+01 -0.880478D+00  0.154959D+01 -0.714512D+00  0.157398D+01
      3  -0.299149D+01  0.161828D+01 -0.714512D+00  0.133831D+01 -0.547517D+00
               176           177           178           179           180 
      1   0.157398D+01 -0.547517D+00  0.486436D+01 -0.835922D+00  0.194942D+01
      2  -0.191638D+01  0.105574D+01 -0.835922D+00  0.219462D+01 -0.211975D+01
      3   0.105574D+01 -0.118605D+01  0.194942D+01 -0.211975D+01  0.354166D+01
               181           182           183           184           185 
      1  -0.198749D+01 -0.211580D+00 -0.155976D+01 -0.459546D+00 -0.894496D+00
      2  -0.211580D+00 -0.124287D+01  0.455354D+00 -0.894496D+00  0.142041D+01
      3  -0.155976D+01  0.455354D+00 -0.144881D+01  0.318686D+00 -0.105054D+01
               186           187           188           189           190 
      1   0.318686D+00 -0.305225D+01  0.144431D+00 -0.989874D+00  0.926509D+00
      2  -0.105054D+01  0.144431D+00 -0.150002D+01  0.179061D+01 -0.862550D+00
      3   0.204551D+01 -0.989874D+00  0.179061D+01 -0.529235D+01 -0.911353D+00
               191           192           193           194           195 
      1  -0.862550D+00 -0.911353D+00 -0.257117D+01  0.190076D+01  0.137507D+01
      2   0.777159D+00  0.401594D+00  0.190076D+01 -0.288379D+01 -0.245569D+01
      3   0.401594D+00  0.105823D+01  0.137507D+01 -0.245569D+01 -0.301766D+01
               196           197           198           199           200 
      1  -0.282020D+01  0.976648D+00  0.269218D+01  0.362567D+01 -0.771756D+00
      2   0.976648D+00 -0.268528D+01 -0.258430D+01 -0.771756D+00  0.115084D+01
      3   0.269218D+01 -0.258430D+01 -0.473504D+01  0.171740D+01 -0.589226D+00
               201           202           203           204           205 
      1   0.171740D+01 -0.187898D+01  0.169605D+01 -0.796666D+00  0.512814D+01
      2  -0.589226D+00  0.169605D+01 -0.111603D+01  0.595381D+00 -0.106736D+01
      3   0.171952D+01 -0.796666D+00  0.595381D+00 -0.147283D+01  0.266636D+01
               206           207           208           209           210 
      1  -0.106736D+01  0.266636D+01  0.423994D+01  0.258732D+01 -0.930181D+00
      2   0.139366D+01 -0.135020D+01  0.258732D+01  0.238302D+01 -0.767635D+00
      3  -0.135020D+01  0.363651D+01 -0.930181D+00 -0.767635D+00  0.972994D+00
               211           212           213           214           215 
      1   0.642994D+01  0.435890D+01 -0.171167D+01 -0.135370D+01 -0.100690D+01
      2   0.435890D+01  0.536703D+01 -0.158441D+01 -0.100690D+01 -0.138042D+01
      3  -0.171167D+01 -0.158441D+01  0.134730D+01  0.171451D+01  0.693058D+00
               216           217           218           219           220 
      1   0.171451D+01  0.136182D+01  0.206558D+00  0.171762D+01 -0.758628D+00
      2   0.693058D+00  0.206558D+00  0.107881D+01 -0.755409D-02  0.571395D+00
      3  -0.112405D+01  0.171762D+01 -0.755409D-02  0.234178D+01 -0.669816D+00
               221           222           223           224           225 
      1   0.571395D+00 -0.669816D+00  0.250907D+01  0.789277D-01  0.220995D+01
      2  -0.290919D+00  0.540034D+00  0.789277D-01  0.129959D+01 -0.889021D-01
      3   0.540034D+00 -0.186690D+01  0.220995D+01 -0.889021D-01  0.625079D+01
               226           227           228           229           230 
      1  -0.843235D+01  0.477380D+00  0.107832D+01  0.171256D+00 -0.114431D+01
      2   0.477380D+00 -0.221729D+01 -0.846775D+00 -0.114431D+01  0.121716D+01
      3   0.107832D+01 -0.846775D+00 -0.111428D+01 -0.526696D+00  0.668663D-01
               231           232           233           234           235 
      1  -0.526696D+00  0.111753D+01 -0.358601D+00 -0.400796D+00  0.224277D+01
      2   0.668663D-01 -0.358601D+00 -0.252817D-01  0.233829D+00  0.265322D+01
      3   0.156928D+00 -0.400796D+00  0.233829D+00  0.102095D+01  0.138232D+00
               236           237           238           239           240 
      1   0.265322D+01  0.138232D+00  0.303792D+01  0.387493D+01 -0.836941D-01
      2   0.330008D+01  0.711155D-01  0.387493D+01  0.861375D+01 -0.914297D-01
      3   0.711155D-01  0.823787D+00 -0.836941D-01 -0.914297D-01  0.877438D+00
               241           242           243           244           245 
      1  -0.974421D+00 -0.792753D+00  0.796865D+00  0.259049D+00 -0.459628D+00
      2  -0.792753D+00 -0.179346D+01  0.666943D+00 -0.459628D+00 -0.557621D+00
      3   0.796865D+00  0.666943D+00 -0.165504D+00  0.159242D+01 -0.109768D+00
               246           247           248           249           250 
      1   0.159242D+01 -0.417346D+00 -0.101189D+01 -0.869216D-01  0.322338D+01
      2  -0.109768D+00 -0.101189D+01  0.279635D+00  0.743844D+00 -0.207662D-01
      3  -0.121985D+01 -0.869216D-01  0.743844D+00  0.385317D-02 -0.201655D+01
               251           252           253           254           255 
      1  -0.207662D-01 -0.201655D+01  0.845936D+01 -0.479881D+00 -0.125794D+01
      2   0.132196D+01 -0.256756D-01 -0.479881D+00 -0.353398D+01  0.157954D-02
      3  -0.256756D-01  0.639525D+01 -0.125794D+01  0.157954D-02 -0.101178D+01
               256           257           258           259           260 
      1  -0.595876D+01 -0.412184D+01 -0.546506D+00 -0.436473D+01 -0.611905D+00
      2  -0.412184D+01  0.196959D+01 -0.243521D+01 -0.611905D+00 -0.334771D+01
      3  -0.546506D+00 -0.243521D+01  0.506434D+00 -0.125986D+01  0.126716D+01
               261           262           263           264           265 
      1  -0.125986D+01 -0.116392D+01  0.168269D+01  0.103399D+00  0.173975D+01
      2   0.126716D+01  0.168269D+01 -0.229134D+01  0.525595D-02 -0.297656D+01
      3   0.396807D+01  0.103399D+00  0.525595D-02 -0.327684D+00  0.137741D+00
               266           267           268           269           270 
      1  -0.297656D+01  0.137741D+00 -0.794465D+00  0.141583D+01 -0.440912D+00
      2   0.980566D+01 -0.226275D+00  0.141583D+01 -0.400838D+01  0.112072D+01
      3  -0.226275D+00  0.141707D+01 -0.440912D+00  0.112072D+01 -0.338909D+00
               271           272           273           274           275 
      1  -0.284557D+00  0.114666D+00 -0.527567D+00  0.560408D+00  0.221476D+00
      2   0.114666D+00  0.653252D+00  0.184053D+00  0.221476D+00 -0.525350D+00
      3  -0.527567D+00  0.184053D+00  0.367934D+00 -0.472510D-01 -0.536471D+00
               276           277           278           279           280 
      1  -0.472510D-01 -0.240682D+01 -0.648757D+00 -0.553192D+00 -0.153457D+02
      2  -0.536471D+00 -0.648757D+00 -0.198896D+01 -0.146541D+01 -0.218129D+01
      3  -0.750814D+00 -0.553192D+00 -0.146541D+01 -0.577921D+01  0.417324D+00
               281           282           283           284           285 
      1  -0.218129D+01  0.417324D+00  0.101669D+01 -0.890480D+00  0.549417D-01
      2  -0.170230D+01 -0.532258D-01 -0.890480D+00 -0.261989D+00  0.269624D+00
      3  -0.532258D-01 -0.105893D+01  0.549417D-01  0.269624D+00  0.805472D-01
               286           287           288           289           290 
      1   0.174476D+01  0.376276D+00 -0.120991D+01  0.520385D-01 -0.607364D+00
      2   0.376276D+00  0.624763D+00 -0.318656D+00 -0.607364D+00  0.223541D+01
      3  -0.120991D+01 -0.318656D+00 -0.216535D-01  0.477027D+00 -0.285835D+00
               291           292           293           294           295 
      1   0.477027D+00 -0.126405D+01 -0.151858D+00  0.442314D-02  0.146373D+01
      2  -0.285835D+00 -0.151858D+00 -0.733993D+01  0.163138D+01  0.392732D+00
      3   0.471190D+00  0.442314D-02  0.163138D+01 -0.138378D+01 -0.266405D-01
               296           297 
      1   0.392732D+00 -0.266405D-01
      2   0.308764D+01 -0.150341D+01
      3  -0.150341D+01  0.823602D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.287174D+01  0.247899D+01  0.207201D+01  0.972621D+01  0.178358D+01
      2   0.569003D+01 -0.147728D+01  0.338026D+01 -0.226143D+01 -0.113799D+01
      3   0.140456D+02 -0.215422D+01 -0.819943D+00  0.108493D+02 -0.163308D+00
                 6             7             8             9            10 
      1  -0.210528D+01 -0.106466D+01  0.281312D+01  0.193342D+00 -0.441178D+01
      2  -0.177117D+00 -0.886888D+01  0.260681D+00 -0.538182D+00 -0.158596D+02
      3  -0.492556D+01 -0.135070D+02 -0.217814D+01  0.107776D+01 -0.308822D+02
                11            12            13            14            15 
      1  -0.700523D+00  0.153833D+01  0.173625D+01  0.456819D+00 -0.102612D+02
      2   0.120125D+00 -0.329481D+01  0.226528D+01 -0.193692D+01 -0.319426D+00
      3   0.501694D+00  0.521468D+00  0.112905D+02 -0.196985D+01  0.797846D-01
                16            17            18            19            20 
      1  -0.336513D+01 -0.338267D+01 -0.681434D+00 -0.321994D+01 -0.129479D+01
      2  -0.250509D+02 -0.288625D+01 -0.284043D+01 -0.738432D+01  0.151028D+00
      3   0.302588D+01  0.366161D+00 -0.114790D+00 -0.127510D+02  0.300219D+00
                21            22            23            24            25 
      1  -0.112612D+01 -0.590579D+01  0.234603D+01  0.561129D+00 -0.205234D+00
      2   0.747597D+01 -0.181356D+01  0.975009D+00 -0.123509D+01 -0.107461D+02
      3   0.147635D-02  0.110678D+02  0.889963D+00  0.325432D+01 -0.123393D+02
                26            27            28            29            30 
      1   0.339853D+01  0.973759D+00  0.186933D+01 -0.237418D+00 -0.282601D+01
      2   0.759538D+00  0.191397D+01  0.121680D+02  0.902324D+00 -0.464662D+01
      3   0.427192D+01 -0.184943D+01  0.274605D+02  0.301252D+00 -0.910540D+00
                31            32            33            34            35 
      1  -0.349032D+01  0.139802D+01 -0.102437D+02 -0.460712D+01 -0.216214D+01
      2  -0.532842D+00  0.290558D+01  0.120656D+01 -0.277166D+02  0.168396D+01
      3   0.738138D+01  0.455367D+01 -0.507337D+00 -0.376442D+00 -0.428159D+01
                36            37            38            39            40 
      1  -0.142649D+00 -0.108218D+01  0.107780D+01 -0.126354D+01  0.721525D+01
      2  -0.322939D+00 -0.100517D+02 -0.138899D+01  0.542960D+01 -0.753831D+00
      3   0.343987D+01 -0.938550D+01 -0.841604D+00  0.145266D+01  0.135264D+02
                41            42            43            44            45 
      1  -0.228561D+01 -0.296937D+01  0.313813D+01  0.160328D+01 -0.119302D+01
      2  -0.151745D+01  0.278461D+00  0.521058D+01 -0.229680D-01 -0.371199D+01
      3   0.161470D+00 -0.368287D+01  0.139256D+02 -0.186573D+01 -0.178615D+01
                46            47            48            49            50 
      1   0.287582D+01 -0.155420D+01  0.160495D+01 -0.712574D+01 -0.195316D+01
      2   0.117468D+02  0.327524D+00  0.988712D+01 -0.959891D+00  0.719657D+00
      3   0.144243D+02 -0.103280D+01  0.921407D+00  0.126134D+02 -0.775461D+00
                51            52            53            54            55 
      1  -0.233703D+01  0.128860D+01  0.266279D+01 -0.237293D+00  0.368688D+01
      2  -0.189719D+01  0.344561D+01 -0.743224D-01  0.539643D+01  0.269852D+01
      3   0.366309D+01  0.120216D+02  0.954821D+00  0.106732D+01  0.161141D+02
                56            57            58            59            60 
      1   0.172060D+01 -0.108118D+01  0.510593D+01  0.427131D+01  0.228540D+01
      2   0.218637D-01 -0.384824D+01  0.840361D+00  0.549633D+01  0.143218D+02
      3   0.659021D+01 -0.769844D+00  0.352331D+02  0.555292D+01 -0.453650D+01
                61            62            63            64            65 
      1  -0.150212D+01  0.677673D+01 -0.181577D+01 -0.475648D+01 -0.955058D+00
      2  -0.233789D+02  0.151191D+02 -0.664866D+01  0.859333D+01 -0.293736D+01
      3  -0.756018D+01 -0.570891D+01 -0.997386D+01 -0.164622D+02 -0.180048D+02
                66            67            68            69            70 
      1  -0.149414D+01 -0.255202D+01 -0.813459D+00 -0.105884D+00  0.152012D+01
      2   0.148339D+02 -0.777012D+01 -0.554270D+01 -0.175262D+02  0.130803D+02
      3   0.509235D+01 -0.289268D+02 -0.427356D+01  0.498105D+01  0.940100D+01
                71            72            73            74            75 
      1   0.664737D+01 -0.919391D+00  0.153922D+01  0.207210D+01 -0.450117D+00
      2  -0.164440D+02  0.177681D+02 -0.875793D+01  0.533696D+01 -0.144488D+02
      3   0.736086D+01  0.160037D+02  0.808260D+01  0.179145D+02 -0.678761D+01
                76            77            78            79            80 
      1   0.372683D+01  0.854798D+00 -0.501134D+01 -0.739522D-01 -0.161381D+01
      2   0.659137D+01  0.138061D+02  0.230629D+02 -0.286790D+02  0.224928D+02
      3   0.364204D+02  0.105739D+02 -0.178251D+02 -0.701877D+01 -0.156354D+02
                81            82            83            84            85 
      1  -0.240174D+01  0.312619D+01 -0.475782D+01  0.486918D+01 -0.652311D+01
      2  -0.183777D+01 -0.146069D+02  0.682953D+01 -0.250310D+01  0.897655D+01
      3  -0.217252D+02  0.223645D+02  0.459843D+01 -0.793836D+01  0.132546D+02
                86            87            88            89            90 
      1  -0.101177D+02 -0.647513D+01  0.636217D+01 -0.718036D+00  0.945243D+01
      2   0.964316D+01  0.892886D+01 -0.872757D+01  0.778555D+01 -0.116742D+02
      3   0.873721D+01 -0.495717D+01 -0.886878D+01 -0.842900D+01 -0.122553D+02
                91            92            93            94            95 
      1   0.256302D+00  0.928995D+00  0.204467D+01  0.146146D+01 -0.131712D+01
      2  -0.517179D+01 -0.307385D+01  0.113276D+01  0.173098D+01 -0.867241D+01
      3  -0.298748D+01  0.163112D+01  0.269728D+01  0.335073D+02 -0.123836D+02
                96            97            98            99           100 
      1  -0.339447D+01  0.218048D+01  0.512248D+01 -0.165924D+01 -0.677124D+00
      2   0.313823D+00 -0.161071D+02  0.242283D+01  0.174936D+02  0.595215D+01
      3   0.512742D+01 -0.273191D+01  0.929465D+01 -0.269669D+01  0.113149D+02
               101           102           103           104           105 
      1  -0.704342D+01 -0.380049D+01 -0.141525D+01  0.361561D-01  0.171260D+01
      2   0.219352D+00  0.381116D+01 -0.323735D+01  0.101763D+02  0.655227D+01
      3  -0.149946D+02 -0.219376D+01 -0.109868D+02  0.502251D+01 -0.527393D+01
               106           107           108           109           110 
      1  -0.616093D+01 -0.364007D+01 -0.443695D+01  0.432245D+01  0.404159D+01
      2  -0.581219D+01  0.638436D+01 -0.242969D+02  0.884208D+01 -0.116715D+01
      3  -0.767984D+01  0.112559D+02 -0.457278D+01 -0.337770D+01 -0.422247D+01
               111           112           113           114           115 
      1   0.300806D+01  0.685819D+00  0.241427D+00 -0.396335D+01  0.329518D+01
      2   0.892640D+01  0.640004D+00  0.486965D+01 -0.538734D+01  0.696773D+01
      3  -0.848897D+00 -0.516896D+00  0.257509D+01 -0.538075D+01  0.112644D+02
               116           117           118           119           120 
      1   0.102069D+02  0.111049D+02 -0.360801D+01  0.213789D+01 -0.609546D+00
      2  -0.436248D+01  0.367436D+02 -0.608409D+01  0.159399D+01  0.137200D+01
      3  -0.198518D+02  0.462537D+01  0.811640D+00  0.795963D+01  0.174925D+01
               121           122           123           124           125 
      1   0.165588D+00 -0.322039D+01 -0.356301D+01 -0.192773D+01  0.643490D+01
      2  -0.315271D+00 -0.115106D+02 -0.164256D+01 -0.158067D+01 -0.635447D+01
      3   0.850647D+01 -0.959464D+01  0.101675D+02 -0.370213D+01  0.169130D+02
               126           127           128           129           130 
      1  -0.835868D+01  0.219152D+01  0.221134D+01  0.205855D+01 -0.101702D+01
      2  -0.109205D+02 -0.620102D+01 -0.220222D+00 -0.586819D+00  0.159041D+01
      3   0.722520D+01 -0.327785D+01 -0.155662D+01 -0.178891D+01  0.283964D+01
               131           132           133           134           135 
      1  -0.950323D-01 -0.221771D+01  0.273522D+01  0.315094D+01  0.482543D+01
      2  -0.797051D-01 -0.197476D+00 -0.449362D+01 -0.150482D+00  0.143065D+01
      3   0.313643D+00  0.302439D+00 -0.289758D+01 -0.208743D+01 -0.200595D+01
               136           137           138           139           140 
      1   0.177175D+01 -0.176407D+01 -0.199925D+01  0.522458D+00  0.168706D+00
      2   0.509902D+01 -0.131092D-02 -0.105363D+01 -0.490498D+00 -0.157149D+00
      3   0.160456D+01 -0.698194D+00 -0.159103D+01  0.129635D+01 -0.359264D-01
               141           142           143           144           145 
      1  -0.209205D+01 -0.192930D+01  0.410124D+01  0.528245D+01 -0.238884D+01
      2   0.443993D+00 -0.516843D+01 -0.226125D+00 -0.106441D+01 -0.799183D+01
      3  -0.458216D-01 -0.153900D+01  0.178420D+01  0.192666D+01  0.264087D+01
               146           147           148           149           150 
      1   0.284423D+01 -0.145863D+01  0.426013D+00 -0.498402D+00 -0.123440D+01
      2   0.107928D+01 -0.969758D+00  0.830616D+00 -0.169884D+00  0.317877D+00
      3  -0.154534D+01  0.145120D+01  0.612618D+00  0.444869D+00 -0.208844D+00
               151           152           153           154           155 
      1  -0.202996D+01  0.373288D+01 -0.342108D+01 -0.212987D+01 -0.168330D+01
      2  -0.469405D+01  0.269464D+00  0.128262D+01  0.497416D+01  0.509588D+00
      3   0.176553D+01 -0.251263D+01  0.199929D+01 -0.143630D+01 -0.778110D+00
               156           157           158           159           160 
      1   0.137361D+01  0.281076D+00 -0.112725D+00 -0.195218D+01  0.272812D+01
      2  -0.631904D+00 -0.156023D+00 -0.243234D+00 -0.116837D+00 -0.487093D+01
      3   0.120448D+01  0.176565D+01  0.290618D+00 -0.801772D-01  0.214613D+01
               161           162           163           164           165 
      1   0.404354D+01 -0.531236D+01 -0.961676D+00 -0.148094D+00  0.143163D+01
      2  -0.387694D+00 -0.244997D+01 -0.500626D+01  0.159244D+01  0.436894D+01
      3   0.205573D+01 -0.176851D+01 -0.517686D+00 -0.468049D+01 -0.170286D+00
               166           167           168           169           170 
      1   0.475178D+00 -0.124364D+01 -0.379185D+01  0.273894D+01 -0.835163D+00
      2   0.252107D+01 -0.807376D+01 -0.754239D+01  0.592430D+01 -0.977259D+01
      3  -0.312608D+01  0.104835D+02  0.521878D+01  0.434898D+01  0.983421D+01
               171           172           173           174           175 
      1  -0.394632D+01  0.168852D+01 -0.146625D+00  0.200038D+01 -0.132790D+01
      2  -0.965792D+01  0.635128D+01 -0.262938D+01  0.653591D+01 -0.153323D+01
      3   0.533228D+01 -0.289372D+00 -0.550625D+01  0.789506D+00 -0.195943D+01
               176           177           178           179           180 
      1   0.830315D+00 -0.331799D+01  0.188501D+01 -0.371001D+00  0.518714D+01
      2   0.303853D+01 -0.471556D+01  0.231565D+01 -0.762227D+01  0.131806D+02
      3   0.430488D+01 -0.206217D+01 -0.321515D+01 -0.677820D+01  0.424512D+01
               181           182           183           184           185 
      1   0.288129D+01  0.167154D+01  0.144488D+01  0.624707D+00 -0.604513D+00
      2  -0.104737D+02  0.138635D+01 -0.652649D+01  0.121931D+01 -0.483801D+01
      3  -0.205552D+01  0.367608D+01 -0.274738D+01  0.580926D+01 -0.551585D+01
               186           187           188           189           190 
      1  -0.223971D+01  0.167205D+01  0.199682D+01  0.302281D+01  0.118620D+01
      2   0.761661D+01 -0.104941D+02  0.673392D+01 -0.212847D+02 -0.460907D+01
      3   0.430801D+01 -0.317830D+01  0.533721D+01 -0.832898D+01  0.476564D+01
               191           192           193           194           195 
      1  -0.100644D+01 -0.294662D+00 -0.145940D+01  0.393796D+01  0.856837D+00
      2   0.164579D+01  0.595115D+01  0.393106D+01 -0.120147D+02 -0.166109D+02
      3  -0.526847D+01 -0.267322D+01 -0.767432D+01  0.161922D+02  0.131218D+02
               196           197           198           199           200 
      1  -0.110717D+01  0.492318D+01  0.207729D+01  0.179228D+00 -0.448379D-01
      2   0.965208D+01 -0.138344D+02 -0.240060D+02  0.119490D+02 -0.401556D+01
      3  -0.439946D+01  0.154652D+02  0.141946D+02  0.470953D+01 -0.779053D+01
               201           202           203           204           205 
      1   0.546271D+00 -0.687410D+00 -0.900020D-01 -0.122054D+01 -0.230094D-01
      2   0.125177D+02 -0.517065D+01  0.430806D+01 -0.973143D+01  0.147768D+02
      3   0.360089D+01 -0.738598D+01  0.656734D+01 -0.321447D+01  0.575101D+01
               206           207           208           209           210 
      1   0.158850D+01  0.719165D+00 -0.187128D+01 -0.199719D+01 -0.598605D+00
      2  -0.837320D+01  0.233159D+02 -0.171171D+01 -0.230093D+01  0.680870D+01
      3  -0.895215D+01  0.779636D+01 -0.123279D+02 -0.147206D+02  0.422575D+01
               211           212           213           214           215 
      1  -0.227900D+01 -0.433596D+01 -0.156392D+01 -0.955573D-02  0.190414D+01
      2  -0.445084D+01 -0.574956D+01  0.743806D+01  0.705111D+01  0.265693D+01
      3  -0.193596D+02 -0.300922D+02  0.820404D+01  0.502236D+01  0.792938D+01
               216           217           218           219           220 
      1   0.440026D+00 -0.341560D+01  0.195953D+01 -0.447698D+01  0.148216D+01
      2  -0.499202D+01  0.485307D+01  0.193408D+00  0.824248D+01 -0.600410D+00
      3  -0.310027D+01  0.330557D+00 -0.482051D+01  0.211438D+01 -0.176453D+01
               221           222           223           224           225 
      1  -0.216317D+01  0.278441D+01 -0.412764D+01  0.472495D+01 -0.120975D+02
      2   0.148706D+01 -0.718589D+01  0.196336D+01 -0.487243D+00  0.208129D+02
      3   0.248616D+01 -0.246027D+01  0.324118D+01 -0.574979D+01  0.305809D+01
               226           227           228           229           230 
      1  -0.363859D+01 -0.120337D+01  0.250554D+01 -0.433526D+00  0.357275D+00
      2   0.146860D+02 -0.292826D+01 -0.352809D+01 -0.171327D+01  0.159884D+01
      3  -0.217738D+02  0.631521D+01  0.513123D+01  0.605557D+01 -0.486889D+01
               231           232           233           234           235 
      1  -0.578192D+00  0.241108D+01  0.156070D+01 -0.163611D+01  0.166621D+01
      2   0.722372D-01 -0.580749D+01  0.540909D+00  0.326936D+01 -0.108811D+01
      3  -0.116730D+01  0.390863D+01 -0.234998D+00 -0.192157D+01 -0.591728D+01
               236           237           238           239           240 
      1   0.299627D+01 -0.309163D+01  0.442928D+01  0.756921D+01 -0.467936D+01
      2  -0.152658D+01  0.420253D+01 -0.325540D+01 -0.351331D+01  0.443640D+01
      3  -0.998893D+01 -0.252581D+00 -0.539165D+01 -0.267603D+02 -0.149092D+00
               241           242           243           244           245 
      1  -0.207619D+01 -0.128437D+01  0.130923D+01  0.330743D+00 -0.628891D+00
      2   0.242077D+01  0.262287D+01 -0.931486D+00 -0.656100D+01  0.606516D+00
      3   0.155887D+01  0.599370D+01 -0.117777D+01 -0.102338D+01 -0.238417D+01
               246           247           248           249           250 
      1  -0.777320D+00 -0.354013D+00  0.621966D+00 -0.454885D+00 -0.131506D+01
      2   0.402569D+01  0.292077D+00 -0.142136D+01  0.159379D-01  0.583704D+00
      3  -0.104122D+01 -0.126212D+01  0.110432D+01  0.202168D+01 -0.131387D+01
               251           252           253           254           255 
      1   0.354354D+01  0.246287D+01 -0.150892D+01  0.785098D+00 -0.287973D+01
      2  -0.364892D-01 -0.199767D+02  0.955346D+01  0.102892D+01  0.711109D+01
      3   0.367164D+01  0.149731D+01 -0.189684D+02 -0.160755D+02  0.209109D+01
               256           257           258           259           260 
      1  -0.117243D+01 -0.587618D+01  0.924875D+00 -0.873481D+00  0.574895D+01
      2   0.407811D+01  0.101777D+02 -0.361369D+01  0.523211D+01 -0.562801D+01
      3  -0.808991D+01  0.142593D+02 -0.930066D+01  0.166583D+01 -0.118110D+02
               261           262           263           264           265 
      1   0.850937D+01  0.547135D+00 -0.811904D+00  0.125340D+01 -0.238694D+01
      2  -0.189074D+02 -0.703782D-01 -0.484444D+00  0.913308D+00 -0.868330D+00
      3   0.642198D+01  0.349027D+01 -0.550949D+01 -0.671170D+00 -0.445461D+01
               266           267           268           269           270 
      1   0.664286D+01 -0.448861D+01  0.930066D+00 -0.205325D+01  0.255039D+01
      2   0.229700D+01 -0.504072D+01  0.980813D+00 -0.396535D+01  0.175381D+01
      3   0.299913D+02 -0.359003D+00  0.279194D+01 -0.131510D+02  0.337177D+01
               271           272           273           274           275 
      1  -0.163663D+01 -0.575000D+00  0.966104D+00 -0.325811D+00 -0.167469D+01
      2   0.447799D+01 -0.387632D+00 -0.210777D+01  0.113008D+01  0.222748D+01
      3  -0.924943D-01  0.158887D+01  0.136388D+01  0.108421D+01 -0.202774D+01
               276           277           278           279           280 
      1  -0.190760D+01  0.180354D+00  0.970926D+00 -0.118391D+02  0.855580D+00
      2   0.275953D+01 -0.264192D+01  0.528813D+01  0.237255D+02 -0.348994D+01
      3  -0.174826D+01  0.200109D+01 -0.617214D+01 -0.485085D+01  0.161576D+02
               281           282           283           284           285 
      1   0.111862D+00 -0.251458D+01  0.316583D+00  0.705500D+00 -0.473918D+00
      2   0.211015D+00  0.794521D+01 -0.732956D+00 -0.122775D+01  0.205195D+00
      3  -0.696990D+01 -0.119744D+01 -0.346140D+01  0.427033D+00  0.111735D+01
               286           287           288           289           290 
      1  -0.195599D+01  0.346654D+00 -0.310415D+00  0.146083D+01 -0.484884D+00
      2   0.369794D+01  0.967961D+00  0.507089D+00 -0.224545D+01  0.889495D+00
      3  -0.128296D+01  0.211875D+01  0.513886D+00 -0.435368D+01  0.827221D+01
               291           292           293           294           295 
      1   0.202499D+01 -0.195144D+00  0.407332D+01 -0.542812D+01  0.851334D+00
      2  -0.178033D+01 -0.214010D-01 -0.591996D+01  0.496939D+01 -0.209256D+01
      3  -0.211087D+01  0.487436D+01 -0.269078D+02  0.658860D+01 -0.222934D+01
               296           297 
      1  -0.204833D+01  0.240322D+01
      2   0.507671D+01 -0.280251D+01
      3   0.107927D+02 -0.566847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627459D+01  0.275871D+01 -0.247753D+02  0.830497D+01 -0.123665D+02
      2   0.485137D+01 -0.352772D+01  0.770790D+01 -0.771055D+01  0.127608D+02
      3   0.142322D+01  0.769016D+00  0.170674D+02 -0.594419D+00 -0.394283D+00
      4   0.550785D+01  0.350831D+01  0.352791D+01  0.114994D+02 -0.281657D+01
      5  -0.119969D+02  0.347864D+01 -0.642421D+01  0.423805D+01  0.613081D+01
      6   0.286294D+01  0.475489D+01 -0.287516D+01  0.444694D+01 -0.975569D+01
                 6             7             8             9            10 
      1   0.987675D+01  0.371937D+02  0.337533D+01  0.593644D+01  0.541137D+02
      2  -0.113454D+02 -0.382239D+01 -0.607323D+01  0.331807D+01 -0.227224D+02
      3   0.146869D+01 -0.333713D+02  0.269790D+01 -0.925451D+01 -0.313913D+02
      4   0.572974D+01 -0.277291D+01  0.468420D+01  0.314195D+01 -0.133956D+02
      5   0.279594D+01  0.404926D-01  0.216616D+01 -0.100271D+02 -0.105885D+02
      6   0.137535D+02  0.532381D+01  0.442002D+01  0.290618D+01  0.680440D+01
                11            12            13            14            15 
      1   0.694277D+01 -0.512673D+01  0.683003D+01  0.126233D+01  0.619319D+00
      2  -0.596525D+01  0.982627D+00 -0.119547D+02  0.883151D+01  0.125581D+01
      3  -0.977519D+00  0.414411D+01  0.512464D+01 -0.100938D+02 -0.187513D+01
      4  -0.166052D+01  0.239782D+00  0.220370D+02 -0.534664D+01 -0.933264D+00
      5  -0.511852D+00  0.921006D+01  0.433695D+01  0.380117D-02 -0.322199D+01
      6   0.155248D+01 -0.820456D+01  0.111613D+01  0.186400D+01  0.610159D+01
                16            17            18            19            20 
      1  -0.918566D+01 -0.155755D+01 -0.172404D+02  0.606293D+01 -0.605788D+01
      2  -0.953330D+00  0.345333D+01 -0.192880D+01 -0.395033D+00  0.522847D+01
      3   0.101390D+02 -0.189578D+01  0.191692D+02 -0.566790D+01  0.829402D+00
      4   0.995726D+00 -0.120210D+01 -0.417245D+01 -0.407712D+01 -0.135814D+00
      5  -0.137642D+02 -0.382495D+01  0.106424D+01  0.109478D+02 -0.159526D+00
      6  -0.186408D+01 -0.330631D+01 -0.154829D+01 -0.180633D+01 -0.595112D+01
                21            22            23            24            25 
      1   0.244614D+02 -0.575451D+00 -0.117978D+02 -0.712950D+00 -0.218909D+02
      2  -0.112105D+02  0.218683D+01  0.888307D+01 -0.690696D+01 -0.311501D+01
      3  -0.132509D+02 -0.161138D+01  0.291469D+01  0.761991D+01  0.250059D+02
      4   0.106786D+01  0.138679D+02  0.337725D+01 -0.523681D+01 -0.406486D+01
      5  -0.113742D+02 -0.403991D+01 -0.447460D+01  0.184667D+01  0.502385D+01
      6   0.753702D+01 -0.446282D+01 -0.625299D+01  0.155788D+02 -0.269005D+01
                26            27            28            29            30 
      1   0.124172D+01  0.911852D+01  0.212525D+02 -0.109592D+01  0.265303D+01
      2  -0.331848D+01  0.578554D+01 -0.305007D+01  0.512291D+01  0.204872D+01
      3   0.207676D+01 -0.149041D+02 -0.182024D+02 -0.402699D+01 -0.470176D+01
      4  -0.657221D+01 -0.769001D+00  0.240153D+02  0.191711D+00 -0.324270D-01
      5  -0.618278D+00  0.106429D+02 -0.511436D+00 -0.715717D-01  0.718395D+01
      6   0.655391D+01  0.709831D+00 -0.898957D+00 -0.282724D+01  0.413860D+01
                31            32            33            34            35 
      1  -0.299031D+01  0.181972D+01  0.124687D+01 -0.287478D+01  0.375937D+01
      2   0.519814D+01  0.690445D+01 -0.897144D+00 -0.681578D+00  0.382800D+00
      3  -0.220783D+01 -0.872418D+01 -0.349721D+00  0.355635D+01 -0.414217D+01
      4   0.205184D+02  0.199058D+01  0.195120D+01  0.506879D+00  0.615056D+01
      5   0.369469D+00  0.131801D+01 -0.400004D+00 -0.186764D+02  0.402042D-01
      6  -0.340786D+01  0.658164D+00  0.331461D+01  0.142567D+01 -0.384782D+01
                36            37            38            39            40 
      1  -0.216794D+02  0.229905D+01 -0.177703D+01 -0.247075D+02 -0.276379D+01
      2  -0.658353D+00 -0.123034D+01  0.269299D+01  0.990170D+01  0.126275D+01
      3   0.223378D+02 -0.106871D+01 -0.915959D+00  0.148058D+02  0.150105D+01
      4  -0.217412D+01 -0.186893D+01  0.183668D+01  0.699157D+00  0.565192D+01
      5  -0.164873D+01 -0.188673D+02  0.139645D+01 -0.153516D+01  0.256190D+01
      6  -0.380811D+01  0.476518D+01  0.568431D+01  0.486310D+01  0.653896D+01
                41            42            43            44            45 
      1  -0.904925D+01 -0.148156D+01  0.242335D+02 -0.418551D+01  0.104111D+02
      2   0.944579D+01  0.287950D+01  0.272432D+01  0.170975D+01  0.105205D+01
      3  -0.396533D+00 -0.139794D+01 -0.269579D+02  0.247576D+01 -0.114632D+02
      4   0.195447D+01  0.654704D+01  0.598624D+01  0.519532D+01  0.196806D+01
      5   0.404531D+01  0.227328D+01  0.121714D+02  0.630987D+00 -0.915165D+01
      6   0.357523D+01  0.973380D+01  0.176613D+00  0.439754D+01  0.497176D+01
                46            47            48            49            50 
      1  -0.283693D+01 -0.196661D+01  0.215317D+02  0.606523D+01 -0.111643D+02
      2   0.626320D+01 -0.219131D+00 -0.832301D+01 -0.286493D+01  0.103028D+02
      3  -0.342627D+01  0.218574D+01 -0.132087D+02 -0.320030D+01  0.861499D+00
      4   0.357608D+01  0.119148D+01 -0.205697D+01  0.372832D+01  0.303721D+00
      5   0.212569D+02 -0.165549D+01 -0.652465D+01 -0.584404D+01 -0.364769D+01
      6  -0.434274D+01 -0.334768D+01 -0.763226D-02 -0.346685D+01  0.729087D+01
                51            52            53            54            55 
      1  -0.116527D+02 -0.289016D+02 -0.415607D+01  0.108324D+02 -0.393541D+02
      2   0.854757D+01  0.387841D+01  0.445842D+01  0.638094D+01  0.179068D+02
      3   0.310513D+01  0.250232D+02 -0.302354D+00 -0.172133D+02  0.214472D+02
      4  -0.494684D+01  0.439226D+01 -0.353884D+01  0.205772D+00  0.256758D+01
      5   0.201458D+00  0.966583D+01  0.339810D+00  0.943560D+01  0.173564D+01
      6   0.134053D+02 -0.159891D+01  0.550504D+01  0.198886D+01 -0.596722D+01
                56            57            58            59            60 
      1  -0.814874D+01 -0.204572D+01 -0.454313D+02 -0.254421D+02  0.861799D+01
      2   0.519874D+01  0.157263D+01  0.249768D+02  0.111564D+02 -0.599922D+01
      3   0.295000D+01  0.473087D+00  0.204545D+02  0.142857D+02 -0.261877D+01
      4  -0.187158D+02  0.161431D+01 -0.461116D+02  0.102924D+02  0.103767D+02
      5   0.237667D+01 -0.153921D+02  0.610799D+01  0.107322D+02  0.240379D+02
      6  -0.128204D+01  0.537177D+01  0.317933D+01 -0.708885D+01 -0.103783D+02
                61            62            63            64            65 
      1   0.777018D+01  0.783517D+01 -0.119774D+02 -0.306628D+02  0.950546D+01
      2  -0.946308D-01 -0.392612D+01  0.346258D+01  0.222441D+02 -0.448573D+01
      3  -0.767555D+01 -0.390905D+01  0.851487D+01  0.841876D+01 -0.501974D+01
      4   0.175697D+01  0.123729D+02  0.341726D+02  0.118110D+02  0.264647D+02
      5  -0.317235D+02  0.306574D+02 -0.104300D+02  0.272286D+02 -0.585982D+01
      6   0.146870D+02 -0.117744D+02 -0.815343D+00  0.585959D+01  0.219791D+00
                66            67            68            69            70 
      1   0.288089D+02  0.500452D+02  0.425473D+02 -0.116629D+02  0.303244D+02
      2  -0.146499D+02 -0.201367D+02 -0.174548D+02  0.360593D+01 -0.152634D+02
      3  -0.141590D+02 -0.299084D+02 -0.250924D+02  0.805700D+01 -0.150610D+02
      4  -0.396938D+01  0.470072D+02  0.423682D+01 -0.131180D+02 -0.717665D+01
      5   0.168415D+02 -0.173589D+02 -0.148820D+02 -0.284803D+02  0.324636D+02
      6   0.626127D+01 -0.351148D+01 -0.172334D+01 -0.604829D+01  0.842193D+00
                71            72            73            74            75 
      1  -0.692872D+01  0.386275D+02  0.402025D+02 -0.120739D+02 -0.292240D+02
      2  -0.377639D+01 -0.195504D+02 -0.243036D+02  0.325355D+01  0.136766D+02
      3   0.107051D+02 -0.190771D+02 -0.158990D+02  0.882035D+01  0.155474D+02
      4  -0.140185D+02 -0.265176D+02 -0.176482D+02 -0.380025D+02  0.128335D+02
      5  -0.285241D+02  0.239618D+02 -0.258974D+02  0.141518D+02 -0.256989D+02
      6  -0.416980D+01  0.790568D+01  0.244958D+01  0.647982D+01 -0.880669D+00
                76            77            78            79            80 
      1  -0.247957D+02 -0.465778D+02  0.200018D+02 -0.324054D+02  0.174416D+02
      2   0.568360D+01  0.237691D+02 -0.177406D+01  0.143353D+02 -0.943743D+00
      3   0.191121D+02  0.228087D+02 -0.182277D+02  0.180701D+02 -0.164978D+02
      4  -0.605907D+02 -0.238682D+02  0.325110D+02  0.158096D+02  0.278248D+02
      5   0.203523D+02  0.354434D+02  0.394424D+02 -0.432160D+02  0.396841D+02
      6   0.113007D+02  0.480160D+01 -0.623899D+01  0.481256D+00 -0.578141D+01
                81            82            83            84            85 
      1  -0.394908D+02  0.506986D+02 -0.972018D+01 -0.135706D+02 -0.147360D+02
      2   0.241987D+02 -0.334944D+02 -0.744352D+01  0.163516D+02 -0.104287D+02
      3   0.152920D+02 -0.172042D+02  0.171637D+02 -0.278103D+01  0.251647D+02
      4   0.382047D+02 -0.580085D+01 -0.282055D+02  0.225992D+01 -0.370448D+02
      5  -0.118849D+01 -0.110107D+02  0.493556D+01 -0.168657D+02  0.851822D+01
      6  -0.614923D+01 -0.532852D+01 -0.642802D-02 -0.524653D+01  0.849857D+00
                86            87            88            89            90 
      1  -0.235686D+02 -0.682484D+00 -0.150801D+02 -0.144093D+01 -0.233187D+02
      2  -0.780247D+01 -0.121212D+01  0.184586D+02  0.405694D+01  0.275902D+02
      3   0.313711D+02  0.189461D+01 -0.337845D+01 -0.261601D+01 -0.427154D+01
      4  -0.388671D+02  0.139180D+02  0.343784D+01  0.230997D+02  0.133028D+02
      5   0.107234D+02  0.235623D+02 -0.254921D+02  0.198404D+02 -0.318600D+02
      6   0.616634D+01  0.101349D+02 -0.365699D+01  0.829199D+01 -0.334631D+01
                91            92            93            94            95 
      1   0.879586D+01 -0.160802D+01  0.571500D+00 -0.140612D+02 -0.187810D+02
      2  -0.100740D+02 -0.514033D+01 -0.311425D+01  0.367402D+01  0.389744D+01
      3   0.127810D+01  0.674836D+01  0.254275D+01  0.103872D+02  0.148836D+02
      4  -0.194189D+02 -0.169289D+02 -0.522413D+01 -0.463346D+02  0.906933D+01
      5  -0.494413D+00 -0.446190D+01 -0.586556D+01 -0.399403D+01 -0.100152D+02
      6  -0.184547D+01 -0.788648D+00 -0.348247D+01 -0.422485D+01 -0.216328D+01
                96            97            98            99           100 
      1  -0.153738D+01 -0.104958D+02 -0.374612D+01 -0.781972D+00 -0.228903D+01
      2   0.166781D+01 -0.495728D+01 -0.694138D+00  0.114227D+02  0.219284D+01
      3  -0.130427D+00  0.154530D+02  0.444026D+01 -0.106408D+02  0.961913D-01
      4  -0.100004D+02 -0.106868D+02 -0.200331D+02  0.530010D+00  0.853564D+01
      5  -0.519218D+00 -0.946976D+01  0.156344D+01  0.376299D+02 -0.184977D+02
      6   0.952632D+00 -0.215143D+01  0.269016D+01  0.305953D+01  0.525518D+01
               101           102           103           104           105 
      1   0.295445D+01 -0.820922D+01  0.118461D+02  0.849253D+01  0.527611D+01
      2  -0.355460D-01  0.899232D+01 -0.105103D+02 -0.303959D+01 -0.100779D+02
      3  -0.291891D+01 -0.783101D+00 -0.133581D+01 -0.545294D+01  0.480181D+01
      4   0.365179D+00  0.571660D+01  0.624125D+01 -0.187941D+02  0.168882D+02
      5   0.530911D+01 -0.694158D+01 -0.180894D+01  0.169752D+02  0.149026D+02
      6  -0.444657D+01  0.614886D+01  0.636880D+01 -0.155728D+02 -0.950435D+01
               106           107           108           109           110 
      1  -0.274081D+02  0.607186D+01 -0.983632D+01  0.402493D+02 -0.573971D+01
      2   0.180962D+02 -0.242790D+01  0.116399D+02 -0.258359D+02  0.122694D+01
      3   0.931191D+01 -0.364396D+01 -0.180362D+01 -0.144134D+02  0.451277D+01
      4   0.154839D+02 -0.106456D+02  0.163200D+02 -0.143067D+02  0.164881D+02
      5  -0.289097D+02  0.143770D+02 -0.404759D+02  0.375573D+02 -0.444707D+01
      6   0.120078D+02 -0.176072D+02  0.136843D+02 -0.103121D+02  0.342128D+01
               111           112           113           114           115 
      1   0.270307D+02 -0.309407D+01  0.131250D+01  0.104513D+01  0.424675D+02
      2  -0.194879D+02 -0.831724D+00  0.239306D+01  0.501536D+00 -0.264689D+02
      3  -0.754279D+01  0.392579D+01 -0.370557D+01 -0.154667D+01 -0.159986D+02
      4  -0.852954D+01  0.147764D+02 -0.503261D+01  0.114017D+02 -0.200060D+02
      5   0.270689D+02 -0.617444D+01  0.111965D+02 -0.106294D+02  0.470654D+02
      6  -0.607497D+01  0.455959D+01 -0.586690D+01  0.132379D+02 -0.126723D+02
               116           117           118           119           120 
      1  -0.134550D+01  0.100452D+02  0.133978D+01 -0.141512D+02 -0.104115D+02
      2  -0.415746D+01 -0.309220D+02 -0.898422D+00  0.164308D+02  0.443220D+01
      3   0.550295D+01  0.208768D+02 -0.441361D+00 -0.227959D+01  0.597933D+01
      4   0.322336D+02 -0.142306D+02 -0.300770D+01 -0.493298D+01  0.722679D+01
      5  -0.127571D+02  0.751194D+02 -0.947804D+01  0.228793D+01  0.462203D+01
      6   0.166118D+02 -0.280695D+02  0.506529D+01 -0.289433D+00 -0.327211D+00
               121           122           123           124           125 
      1  -0.772573D+01 -0.965333D+01 -0.540746D+01 -0.125394D+02 -0.736746D+01
      2   0.139096D+02 -0.482720D+01  0.118503D+02  0.186310D+00  0.214561D+02
      3  -0.618389D+01  0.144805D+02 -0.644283D+01  0.123531D+02 -0.140886D+02
      4  -0.573550D+01  0.328132D+02 -0.219528D+02  0.208061D+02 -0.375711D+02
      5   0.953447D+01 -0.222108D+02 -0.670901D+01  0.130948D+02 -0.163988D+02
      6  -0.607266D+01  0.220147D+02  0.113158D+02 -0.529638D+01  0.179198D+02
               126           127           128           129           130 
      1  -0.445734D+01  0.111219D+01  0.193019D+01 -0.400381D+01 -0.101668D+01
      2  -0.828584D+00 -0.653515D+01 -0.899662D+00 -0.596011D+01  0.172142D+01
      3   0.528592D+01  0.542296D+01 -0.103053D+01  0.996392D+01 -0.704744D+00
      4  -0.141954D+02 -0.576028D+01  0.455844D+01 -0.526717D+01  0.132209D+01
      5  -0.237933D+02  0.172515D+02 -0.304093D+01  0.175143D+02 -0.291256D+01
      6   0.182553D+02 -0.629038D+01  0.422577D+01 -0.714251D+01  0.185919D+01
               131           132           133           134           135 
      1  -0.164555D+01  0.168661D+01 -0.488952D+01  0.458465D+01 -0.209550D+02
      2  -0.902793D-01  0.104875D+01 -0.736534D+01 -0.874959D+00 -0.118041D+02
      3   0.173583D+01 -0.273536D+01  0.122549D+02 -0.370969D+01  0.327590D+02
      4  -0.166496D+01  0.235826D+01 -0.464422D+01  0.444547D+01 -0.654538D+01
      5   0.240808D+01 -0.364565D+01  0.180315D+02 -0.369711D+01  0.260047D+02
      6  -0.144503D+01  0.341159D+01 -0.702300D+01  0.803226D+01 -0.144573D+02
               136           137           138           139           140 
      1  -0.240285D+01 -0.324098D+00  0.615003D+01 -0.506124D+00 -0.161848D+01
      2  -0.567783D+01  0.196313D+00  0.609942D+01  0.508245D-02 -0.363846D+00
      3   0.808068D+01  0.127785D+00 -0.122494D+02  0.501042D+00  0.198232D+01
      4   0.280453D+01  0.225457D+01 -0.267062D+01  0.397462D+00 -0.118426D+00
      5  -0.117706D+02 -0.761179D+00  0.149085D+02  0.889651D-02 -0.140861D+01
      6  -0.283339D+01 -0.230947D+01  0.321054D+01 -0.429278D+00 -0.424380D+00
               141           142           143           144           145 
      1   0.827925D+00  0.800044D+01  0.301557D+01 -0.322999D+02  0.363958D+01
      2   0.278754D+00  0.639963D+01 -0.873397D+00 -0.162116D+02 -0.497773D+01
      3  -0.110668D+01 -0.144001D+02 -0.214217D+01  0.485115D+02  0.133815D+01
      4  -0.101704D+01 -0.311697D+01 -0.310562D+01  0.413634D+01  0.604240D+00
      5  -0.180146D+00  0.143584D+02  0.156105D+01 -0.231345D+02  0.109672D+02
      6   0.256730D+01  0.451842D+01  0.754701D+01 -0.122461D+02  0.144426D+01
               146           147           148           149           150 
      1  -0.600839D+00 -0.205651D+01 -0.736016D+00 -0.529370D+00  0.141218D+01
      2   0.718767D+00 -0.393990D+01  0.516479D+00 -0.449608D+00  0.580596D+00
      3  -0.117927D+00  0.599642D+01  0.219538D+00  0.978978D+00 -0.199277D+01
      4   0.328578D+01  0.697969D+00  0.161538D+01 -0.112378D+01  0.585674D+00
      5  -0.101738D+01  0.103308D+02 -0.116620D+01  0.200404D+01 -0.194391D+01
      6   0.168633D+01  0.154031D+01  0.209228D+00 -0.817872D+00  0.111264D+01
               151           152           153           154           155 
      1  -0.352732D+01  0.692467D+00 -0.156229D+02  0.517754D+00  0.147009D+01
      2  -0.537024D+01  0.915884D+00 -0.900569D+01 -0.520049D+01 -0.108368D+01
      3   0.889757D+01 -0.160835D+01  0.246286D+02  0.468274D+01 -0.386412D+00
      4   0.121157D+01  0.310852D+01  0.127058D+01 -0.165123D+01  0.231433D+01
      5   0.131759D+02 -0.947120D+00  0.177503D+02 -0.982907D+01  0.525549D+00
      6   0.219435D+01  0.459058D+01  0.378967D+01  0.329161D+01 -0.198234D+01
               156           157           158           159           160 
      1   0.317309D+01 -0.106047D+01 -0.158524D+01  0.124969D+01  0.340212D+01
      2   0.496239D+01  0.594388D+00 -0.213697D+00 -0.361581D-01  0.677321D+01
      3  -0.813547D+01  0.466082D+00  0.179893D+01 -0.121353D+01 -0.101753D+02
      4   0.222009D+01  0.122355D+01 -0.637601D+00 -0.118825D+01  0.163562D+01
      5   0.125314D+02  0.604557D+00 -0.189599D+01 -0.786293D+00  0.136292D+02
      6  -0.433750D+01 -0.125848D+01  0.151180D+00  0.191779D+01 -0.388728D+01
               161           162           163           164           165 
      1  -0.192980D+01 -0.248171D+02  0.125025D+02 -0.503032D+01 -0.647798D+01
      2   0.121631D+01 -0.129698D+02 -0.457854D+01  0.724148D+00  0.266924D+01
      3   0.713497D+00  0.377869D+02 -0.792394D+01  0.430617D+01  0.380874D+01
      4  -0.297756D+01 -0.285663D+01 -0.121266D+02  0.154322D+02  0.639004D+01
      5  -0.459773D+00 -0.211429D+02 -0.110641D+02  0.500916D+01  0.879422D+01
      6   0.631801D+01  0.105511D+02  0.502565D+01 -0.228321D+01 -0.271442D+01
               166           167           168           169           170 
      1  -0.406230D+01 -0.369929D+01 -0.344219D+01 -0.227631D+02 -0.566407D+01
      2  -0.217798D+01  0.129422D+02  0.556644D+01  0.985637D+01  0.679613D+01
      3   0.624028D+01 -0.924294D+01 -0.212425D+01  0.129067D+02 -0.113206D+01
      4   0.232463D+02 -0.312472D+02 -0.167294D+02  0.155620D+02 -0.247368D+02
      5   0.823980D+01 -0.152084D+02 -0.133130D+02  0.203484D+02 -0.179375D+02
      6  -0.591887D+01  0.124574D+02  0.106720D+02 -0.968106D+01  0.126386D+02
               171           172           173           174           175 
      1   0.132162D+00  0.177258D+02 -0.398612D+01  0.870305D+01 -0.765667D-01
      2  -0.119780D+01 -0.890226D+01 -0.119074D+00 -0.453567D+01 -0.234286D+01
      3   0.106564D+01 -0.882358D+01  0.410519D+01 -0.416738D+01  0.241942D+01
      4  -0.208666D+02 -0.118814D+02  0.151050D+02 -0.854866D+01  0.138264D+02
      5  -0.206064D+02  0.151293D+02 -0.701935D+01  0.137128D+02 -0.547830D+01
      6   0.121689D+02 -0.491938D+01  0.263317D+01 -0.357054D+01  0.381630D+01
               176           177           178           179           180 
      1   0.970367D+00  0.946225D+00  0.219187D+02  0.746623D+00  0.158426D+01
      2   0.379496D+01 -0.229440D+01 -0.108435D+02 -0.292047D+01 -0.344654D+01
      3  -0.476533D+01  0.134817D+01 -0.110752D+02  0.217385D+01  0.186228D+01
      4  -0.157209D+02  0.868618D+01 -0.140015D+02  0.178578D+02 -0.181885D+02
      5   0.824953D+01 -0.897508D+01  0.184922D+02 -0.161183D+02  0.276253D+02
      6  -0.546847D+01  0.781784D+01 -0.675564D+01  0.935146D+01 -0.103746D+02
               181           182           183           184           185 
      1  -0.117068D+02  0.300588D+01 -0.150573D+02  0.194306D+01 -0.153426D+02
      2   0.352729D+01 -0.167978D+01  0.509535D+01 -0.164524D+01  0.910918D+01
      3   0.817956D+01 -0.132609D+01  0.996190D+01 -0.297822D+00  0.623344D+01
      4  -0.250680D+01 -0.562596D+01  0.820250D+00 -0.229829D+01  0.740500D+01
      5  -0.784124D+01  0.127042D+01 -0.542914D+01  0.674312D+00 -0.526776D+01
      6  -0.438679D+01  0.182476D+01 -0.476544D+01  0.186921D+01 -0.573784D+01
               186           187           188           189           190 
      1   0.807549D+01 -0.276086D+02  0.792927D+01 -0.247812D+02  0.121335D+02
      2  -0.384870D+01  0.114550D+02 -0.190257D+01 -0.133697D+00 -0.817854D+01
      3  -0.422679D+01  0.161536D+02 -0.602670D+01  0.249149D+02 -0.395494D+01
      4  -0.500744D+01 -0.436435D+00 -0.841383D+01  0.100552D+02 -0.923677D+01
      5   0.133419D+02 -0.143402D+01  0.115121D+02 -0.328073D+02 -0.120955D+02
      6   0.101591D+02 -0.262681D+01  0.802232D+01 -0.135349D+02  0.261696D+01
               191           192           193           194           195 
      1  -0.948014D+01 -0.102086D+02 -0.260093D+02  0.124793D+02  0.699462D+01
      2   0.576634D+01  0.685859D+01  0.161350D+02 -0.733961D+01 -0.971577D+01
      3   0.371380D+01  0.334996D+01  0.987424D+01 -0.513971D+01  0.272114D+01
      4   0.111055D+02  0.580568D+01  0.227583D+02 -0.301806D+02 -0.257692D+02
      5   0.679930D+01  0.156403D+02  0.178666D+02 -0.266503D+02 -0.340177D+02
      6  -0.179614D+01 -0.116000D+01 -0.456667D+01  0.818778D+01  0.822412D+01
               196           197           198           199           200 
      1  -0.265870D+02  0.414426D+01  0.151712D+02  0.477801D+02 -0.106577D+02
      2   0.192023D+02 -0.739701D+01 -0.221321D+02 -0.236628D+02  0.518576D+01
      3   0.738462D+01  0.325275D+01  0.696098D+01 -0.241172D+02  0.547193D+01
      4   0.113812D+02 -0.285183D+02 -0.266693D+02 -0.951156D+01  0.147541D+02
      5   0.340414D+02 -0.279765D+02 -0.515162D+02  0.211452D+02 -0.745577D+01
      6  -0.274994D+01  0.871951D+01  0.758193D+01 -0.676802D+00 -0.824017D+00
               201           202           203           204           205 
      1   0.231608D+02 -0.229304D+02  0.165865D+02 -0.997113D+01  0.597952D+02
      2  -0.105482D+02  0.113284D+02 -0.689028D+01  0.337488D+01 -0.304549D+02
      3  -0.126126D+02  0.116020D+02 -0.969621D+01  0.659626D+01 -0.293403D+02
      4  -0.743428D+01  0.208779D+02 -0.126775D+02  0.690442D+01 -0.123536D+02
      5   0.221800D+02 -0.993388D+01  0.656819D+01 -0.171057D+02  0.331199D+02
      6   0.326350D+00 -0.154438D+00 -0.146366D+01  0.286288D+01 -0.159762D+00
               206           207           208           209           210 
      1  -0.125484D+02  0.281009D+02  0.498857D+02  0.271158D+02 -0.884247D+01
      2   0.511428D+01 -0.165315D+02 -0.220497D+02 -0.112175D+02  0.527464D+01
      3   0.743411D+01 -0.115694D+02 -0.278360D+02 -0.158984D+02  0.356783D+01
      4   0.161549D+02 -0.147466D+02  0.341082D+02  0.324527D+02 -0.995526D+01
      5  -0.152655D+02  0.421988D+02 -0.148321D+02 -0.112745D+02  0.147428D+02
      6   0.254795D+01  0.296475D+00 -0.602946D+01 -0.492885D+01  0.299592D+01
               211           212           213           214           215 
      1   0.609783D+02  0.317821D+02 -0.129351D+02 -0.116309D+02 -0.760080D+01
      2  -0.249650D+02 -0.585708D+01  0.669172D+01  0.722537D+01  0.331253D+01
      3  -0.360133D+02 -0.259250D+02  0.624336D+01  0.440558D+01  0.428827D+01
      4   0.546126D+02  0.624520D+02 -0.184733D+02 -0.124829D+02 -0.157033D+02
      5  -0.231699D+02 -0.194399D+02  0.172065D+02  0.219123D+02  0.868287D+01
      6  -0.985224D+01 -0.117388D+02  0.834590D+01  0.495984D+01  0.727402D+01
               216           217           218           219           220 
      1   0.128844D+02  0.116118D+02 -0.136860D+01  0.114228D+02 -0.798993D+01
      2  -0.809457D+01 -0.966373D+01  0.392909D+01 -0.126180D+02  0.761049D+01
      3  -0.478979D+01 -0.194805D+01 -0.256049D+01  0.119517D+01  0.379448D+00
      4   0.814962D+01  0.328088D+01  0.936302D+01  0.305417D+01  0.488012D+01
      5  -0.134926D+02  0.186190D+02  0.217392D+00  0.241132D+02 -0.741193D+01
      6  -0.409365D+01  0.347408D+01  0.227242D+01  0.516242D+01  0.611671D+00
               221           222           223           224           225 
      1   0.322216D+01 -0.272181D+01  0.164216D+02 -0.264270D+01  0.322640D+01
      2  -0.183783D+01  0.699344D+01 -0.161669D+02  0.556771D+01 -0.237574D+02
      3  -0.138432D+01 -0.427163D+01 -0.254667D+00 -0.292501D+01  0.205310D+02
      4  -0.163746D+01  0.376497D+01  0.522920D+01  0.899912D+01  0.259013D+01
      5   0.537597D+01 -0.164243D+02  0.246548D+02 -0.900112D+00  0.532866D+02
      6  -0.185569D+01  0.253454D+00  0.562353D+01  0.485065D+01  0.138134D+02
               226           227           228           229           230 
      1  -0.543557D+02  0.138764D+02  0.122328D+02  0.712111D+01 -0.101983D+02
      2   0.300609D+02 -0.128056D+02 -0.668301D+01 -0.526675D+01  0.103258D+02
      3   0.242949D+02 -0.107074D+01 -0.554981D+01 -0.185436D+01 -0.127534D+00
      4  -0.146095D+02 -0.491562D+01 -0.161082D+01  0.224352D+01  0.378893D+01
      5  -0.944611D+00 -0.405748D+01 -0.398941D+01 -0.112685D+01 -0.516357D+00
      6   0.303648D+01 -0.538867D+01 -0.536239D+01 -0.361345D+01  0.184336D+01
               231           232           233           234           235 
      1  -0.393143D+01  0.978727D+01 -0.273047D+01 -0.575106D+01  0.131369D+02
      2   0.234990D+01 -0.542563D+01  0.115248D+01  0.118215D+00  0.243512D+01
      3   0.158153D+01 -0.436163D+01  0.157799D+01  0.563285D+01 -0.155720D+02
      4  -0.112981D+01  0.139113D+01 -0.221265D+01 -0.995264D+00  0.266422D+02
      5  -0.198752D+01  0.265225D+01 -0.230416D+00  0.545143D+01  0.224212D+01
      6   0.178927D+01 -0.323423D+01  0.290117D+01  0.328982D+01  0.169219D+01
               236           237           238           239           240 
      1   0.112969D+02 -0.532839D+00  0.141952D+02 -0.232549D+01 -0.127324D+01
      2   0.777025D+01 -0.138112D+01  0.852374D+01  0.387498D+02 -0.102089D+01
      3  -0.190671D+02  0.191396D+01 -0.227190D+02 -0.364243D+02  0.229413D+01
      4   0.338688D+02  0.299313D+00  0.396341D+02  0.705892D+02 -0.955599D+00
      5   0.235754D+01  0.828748D+01  0.216568D+01  0.216084D+01  0.758215D+01
      6   0.231057D+01  0.387712D+01  0.187367D+01  0.506200D+01  0.727739D+01
               241           242           243           244           245 
      1  -0.541134D+01 -0.369328D+00  0.276902D+01  0.213629D+01  0.123191D+01
      2  -0.860875D+00 -0.630045D+01 -0.957074D-01 -0.601250D+01  0.239796D-01
      3   0.627221D+01  0.666978D+01 -0.267332D+01  0.387621D+01 -0.125589D+01
      4  -0.772745D+01 -0.143582D+02  0.663791D+01  0.272075D+01  0.549867D+01
      5   0.751300D+01  0.506679D+01 -0.913463D+00 -0.139247D+02  0.683164D+00
      6   0.381203D+01  0.620447D+01 -0.215506D+01 -0.107615D+01 -0.152045D+00
               246           247           248           249           250 
      1  -0.791590D+01  0.948997D+00  0.133603D+01  0.154102D+00 -0.111901D+02
      2   0.673194D+01  0.412092D+00 -0.120987D+01 -0.128130D+01  0.109415D+02
      3   0.118396D+01 -0.136109D+01 -0.126163D+00  0.112720D+01  0.248591D+00
      4  -0.313331D+00  0.867826D+01 -0.141386D+01 -0.447630D+01 -0.230635D+01
      5   0.134689D+02  0.541157D+00 -0.494420D+01 -0.739612D-01  0.193383D+02
      6   0.108059D+01 -0.133097D+01 -0.647139D+00  0.531059D+01  0.854477D+00
               251           252           253           254           255 
      1   0.545080D+00 -0.458094D+01 -0.862775D+02 -0.109409D+02  0.805278D+01
      2  -0.905511D+00 -0.174035D+02  0.473877D+02  0.150478D+02 -0.593026D+01
      3   0.360430D+00  0.219845D+02  0.388898D+02 -0.410689D+01 -0.212252D+01
      4  -0.912242D+01  0.177826D+01 -0.179898D+02  0.259923D+02  0.272154D+01
      5   0.494934D+00 -0.454399D+02  0.117234D+02  0.991232D-01  0.951311D+01
      6   0.419382D+01 -0.443205D+01  0.639706D+01  0.109553D+00  0.502069D+01
               256           257           258           259           260 
      1   0.164695D+02  0.328363D+02 -0.565951D+01  0.185624D+02 -0.580607D+01
      2   0.306437D+01 -0.255998D+02  0.111201D+02 -0.527923D+01  0.152946D+02
      3  -0.195338D+02 -0.723643D+01 -0.546055D+01 -0.132832D+02 -0.948852D+01
      4   0.394525D+02 -0.173678D+01  0.170250D+02  0.110057D+02  0.231477D+02
      5   0.438507D+01  0.190653D+02 -0.481914D+01  0.112549D+02 -0.863129D+01
      6   0.415590D+01  0.140064D+02 -0.184797D+01  0.488982D+01 -0.394948D+01
               261           262           263           264           265 
      1   0.171028D+02  0.507758D+01 -0.772186D+01  0.396198D+00 -0.467581D+01
      2  -0.639328D+01  0.417933D+01 -0.429034D+01  0.329609D+00 -0.895759D+01
      3  -0.107096D+02 -0.925691D+01  0.120122D+02 -0.725807D+00  0.136334D+02
      4  -0.391071D+01 -0.155968D+02  0.228382D+02 -0.960486D+00  0.268481D+02
      5  -0.295056D+02 -0.867341D+00  0.148782D+00  0.284629D+01  0.142907D-01
      6  -0.142291D+02 -0.270301D+00  0.241417D+00 -0.881397D+00  0.531283D+00
               266           267           268           269           270 
      1  -0.122757D+02 -0.243248D+00  0.202459D+01  0.318591D+01 -0.166591D+01
      2   0.439505D+02 -0.196020D+01  0.424672D+01 -0.166260D+02  0.446841D+01
      3  -0.316749D+02  0.220345D+01 -0.627131D+01  0.134401D+02 -0.280251D+01
      4  -0.671326D+02  0.188010D+01 -0.121143D+02  0.284660D+02 -0.761547D+01
      5  -0.262350D+00 -0.897900D+01  0.339472D+01 -0.679381D+01  0.238831D+01
      6  -0.851140D+00  0.625886D+01 -0.297688D+01  0.849704D+01 -0.283149D+01
               271           272           273           274           275 
      1   0.581896D+01  0.306846D+01  0.532837D+01 -0.189987D+01 -0.690486D+01
      2  -0.527276D+01 -0.345190D+01 -0.204372D+01  0.152799D+00  0.556878D+01
      3  -0.546202D+00  0.383439D+00 -0.328465D+01  0.174707D+01  0.133608D+01
      4   0.848042D+00 -0.336435D+01  0.757210D+00 -0.111008D+01  0.228115D+01
      5   0.302982D+01 -0.522156D+00 -0.377026D+00  0.593655D+00  0.334739D+01
      6   0.140916D+01 -0.115278D+01 -0.155225D+01  0.108677D+00  0.230487D+01
               276           277           278           279           280 
      1  -0.221488D+01  0.135672D+02 -0.307168D+01 -0.125225D+02  0.130176D+03
      2   0.137505D+01 -0.636001D+01  0.398980D+01 -0.306154D+01 -0.613252D+02
      3   0.839827D+00 -0.720722D+01 -0.918114D+00  0.155841D+02 -0.688511D+02
      4   0.326865D+01  0.103987D+02  0.142084D+02  0.900205D+01  0.498591D+02
      5   0.535492D+01  0.800891D+01  0.103145D+02  0.413168D+02 -0.487879D+01
      6   0.638088D+01  0.230049D+01  0.962170D+01  0.228895D+02 -0.226829D+01
               281           282           283           284           285 
      1   0.129195D+02 -0.510068D+01 -0.721108D+01  0.625519D+01  0.790485D+00
      2  -0.115212D+01  0.276818D+01  0.632720D+01 -0.684222D+00 -0.154202D+01
      3  -0.117674D+02  0.233251D+01  0.883879D+00 -0.557097D+01  0.751539D+00
      4   0.222189D+02 -0.962343D+00  0.106716D+02  0.397615D+01 -0.208855D+01
      5  -0.164898D+00  0.137135D+02 -0.403023D-01 -0.237644D+01 -0.556143D-01
      6   0.235287D+00  0.415144D+01 -0.129814D+00 -0.102868D+01  0.849132D+00
               286           287           288           289           290 
      1  -0.130405D+02 -0.701998D+00  0.867602D+01  0.900054D+00  0.132077D+02
      2   0.642051D+01 -0.151834D+01 -0.550460D+01  0.148834D+01 -0.144171D+02
      3   0.661999D+01  0.222034D+01 -0.317142D+01 -0.238839D+01  0.120942D+01
      4  -0.622076D+01 -0.511974D+01  0.448300D+01  0.263916D+01 -0.881164D+01
      5   0.148772D+02  0.285065D+01 -0.723346D+00 -0.290129D+01  0.164438D+01
      6   0.378515D+01  0.214812D+01  0.525709D+00 -0.219731D+01  0.210484D+01
               291           292           293           294           295 
      1  -0.468775D+01  0.101832D+02 -0.295693D+02  0.656869D+01 -0.840021D+01
      2   0.360843D+01 -0.465586D+01  0.472600D+02 -0.949568D+01  0.292204D+01
      3   0.107932D+01 -0.552730D+01 -0.176906D+02  0.292700D+01  0.547817D+01
      4  -0.206615D+00  0.886634D+01  0.446124D+02 -0.102319D+02 -0.687886D+01
      5  -0.291404D+01 -0.653192D+00 -0.125473D+02  0.971886D+01  0.161358D+01
      6  -0.310032D+01 -0.452502D+00 -0.102713D+02  0.917051D+01  0.268122D+00
               296           297 
      1   0.908428D+01 -0.810082D+01
      2  -0.143808D+02  0.693267D+01
      3   0.529654D+01  0.116815D+01
      4  -0.200992D+02  0.850447D+01
      5   0.104241D+02 -0.547654D+01
      6   0.103765D+02 -0.608683D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174979D+03      0.259293D+02      0.288502D+02
   aniso      0.799885D+02      0.118531D+02      0.131883D+02
   xx         0.227257D+03      0.336760D+02      0.374696D+02
   yx        -0.874193D+00     -0.129542D+00     -0.144135D+00
   yy         0.139789D+03      0.207146D+02      0.230481D+02
   zx         0.542151D+00      0.803384D-01      0.893886D-01
   zy         0.210039D+00      0.311246D-01      0.346308D-01
   zz         0.157892D+03      0.233972D+02      0.260329D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.174979D+03      0.259293D+02      0.288502D+02
   aniso      0.799885D+02      0.118531D+02      0.131883D+02
   xx         0.197838D+03      0.293166D+02      0.326191D+02
   yx        -0.762335D+00     -0.112966D+00     -0.125692D+00
   yy         0.139789D+03      0.207145D+02      0.230480D+02
   zx         0.342865D+02      0.508073D+01      0.565307D+01
   zy        -0.293637D+00     -0.435125D-01     -0.484142D-01
   zz         0.187311D+03      0.277566D+02      0.308834D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F15-14\Freq\RLC-PBEPBE\Gen\C13H18O2\PIERPA\27-Sep-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
 1)\\ROA calculations.\\0,1\C,0.859135,-0.797445,1.307905\C,1.475419,-0
 .773087,0.059735\C,-0.519198,-0.667837,1.430715\C,-1.322882,-0.517669,
 0.305982\C,-0.712213,-0.493664,-0.948233\C,0.663373,-0.61923,-1.065423
 \C,2.970409,-0.867475,-0.082211\C,3.653427,0.477889,-0.39778\C,5.14277
 6,0.265827,-0.664323\C,3.434072,1.499169,0.716682\C,-2.832871,-0.40843
 4,0.441812\C,-3.28862,0.891062,-0.193882\O,-3.674162,1.023041,-1.32662
 2\O,-3.185052,1.931949,0.663544\H,1.465467,-0.914551,2.198032\H,-0.973
 985,-0.684881,2.413842\H,-1.317893,-0.368693,-1.836932\H,1.116639,-0.5
 98906,-2.049722\H,3.214767,-1.57491,-0.87979\H,3.401771,-1.271409,0.83
 8508\H,3.194988,0.870891,-1.312084\H,5.304831,-0.437524,-1.483935\H,5.
 641346,-0.134788,0.222807\H,5.634047,1.20549,-0.924389\H,3.868992,1.14
 405,1.655622\H,2.373464,1.684234,0.88879\H,3.908029,2.451247,0.470321\
 H,-3.064982,-0.34364,1.50555\C,-3.561082,-1.603695,-0.175784\H,-3.4416
 13,2.729075,0.173539\H,-3.37217,-1.659027,-1.246468\H,-4.638896,-1.523
 016,-0.02823\H,-3.211554,-2.526025,0.287996\\Version=ES64L-G16RevA.03\
 State=1-A\HF=-657.0243949\RMSD=3.320e-09\RMSF=8.212e-06\ZeroPoint=0.28
 41235\Thermal=0.2998215\Dipole=0.4035307,-0.0019666,0.4777434\DipoleDe
 riv=-0.1484159,-0.026234,0.0716913,-0.0129619,-0.1085145,-0.0069548,0.
 1232563,-0.0169735,0.0442635,0.3415178,0.0456169,-0.037999,-0.0064581,
 -0.0973671,0.0124126,-0.0672727,0.0081317,-0.0634555,-0.0604696,0.0028
 207,-0.0580472,0.0109448,-0.1114543,-0.002284,-0.0197395,-0.0206663,0.
 091126,0.3022891,-0.0954589,0.0449499,0.0056444,-0.1335451,0.0150136,-
 0.0515067,0.0267952,-0.0817889,-0.095609,0.002114,0.0311894,-0.0009257
 ,-0.1115213,-0.0169195,0.0639678,-0.0165491,0.0094274,-0.1279205,-0.02
 247,-0.0375519,-0.0104085,-0.110709,-0.0167675,-0.0941146,0.0007972,0.
 0883023,0.0341973,-0.0379286,0.0471329,-0.1649036,0.0868655,0.0156507,
 0.0985273,-0.0089892,0.141,0.1192779,0.0151562,-0.0266924,0.1670602,0.
 1227484,0.0160507,-0.0514828,0.0272361,0.1118878,-0.0018092,0.0068921,
 0.0257718,-0.0906614,0.0843007,-0.009759,0.0441695,-0.0224396,0.118616
 9,0.0193504,0.0206335,0.0594536,-0.0270162,0.0212906,-0.0821136,0.0601
 245,-0.0557385,0.0652334,-0.0272577,0.1535401,-0.0789502,0.063811,0.00
 40473,0.0554323,-0.1460887,0.0730939,0.0791825,0.4762197,-0.1958682,0.
 3409697,-0.5556468,1.3821126,0.2722787,0.5162445,0.2878132,1.2919292,-
 0.525907,0.0513003,-0.2568345,0.2561322,-0.659183,0.1386257,-0.3823346
 ,-0.0641233,-0.9481196,-0.3772416,0.0294008,-0.0064622,0.1586422,-1.00
 50788,-0.5074918,0.0092797,-0.3854044,-0.6172456,-0.0142904,0.027305,-
 0.0913706,0.0217993,0.1166605,0.010429,-0.0862872,0.0120436,-0.0305014
 ,0.0137486,-0.0028881,0.084961,0.0101914,0.1126385,0.0025121,0.0774943
 ,0.0088198,-0.0546417,0.0369387,0.0005851,-0.0641234,0.0139975,0.11653
 ,0.0141588,-0.0754673,0.0128701,0.003112,0.0196857,0.0129668,0.0767636
 ,0.0134044,0.11056,0.0077258,0.0876952,0.0066646,-0.0570758,-0.0473808
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 \\@


 DEMOCRATS BUY MOST OF THE BOOKS THAT HAVE BEEN
 BANNED; REPUBLICANS FORM CENSORSHIP COMMITTEES AND
 READ THEM AS A GROUP.
 Job cpu time:       1 days  4 hours  9 minutes 44.1 seconds.
 Elapsed time:       0 days  3 hours 31 minutes 34.3 seconds.
 File lengths (MBytes):  RWF=    705 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 22:16:43 2021.
